SCHEMBL8327786

SCHEMBL8327786

COc1c(C(=O)O)c2n(c1-c1cccnc1)CCC=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MKNK1 Q9BUB5 4/20 0.36
MKNK2 Q9HBH9 4/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7962951 0.91 CYP11B2 (0.37) CYP11B2CYP11B1CYP3A4CYP19A1ABL1
SCHEMBL7964018 0.90 GABRA1 (0.40) CYP11B2CYP11B1CYP3A4CYP19A1ABL1
SCHEMBL7962850 0.90 MKNK1 (0.41) CYP11B2CYP11B1CYP3A4CYP19A1ABL1
SCHEMBL8328659 0.85 GPR35 (0.38) CYP11B2CYP11B1CYP3A4MKNK1MKNK2
SCHEMBL8328721 0.83 MKNK1 (0.38) CYP11B2MKNK1MKNK2KMO
SCHEMBL8329319 0.81 CYP11B2 (0.38) CYP11B2CYP11B1MKNK1MKNK2KMO
SCHEMBL7963752 0.80 SLC2A1 (0.39) CYP11B2CYP11B1CYP3A4CYP19A1GABRA1
SCHEMBL8327305 0.80 MKNK1 (0.36) CYP11B2ABL1BCRMKNK1MKNK2
SCHEMBL7962786 0.80 CYP11B2 (0.41) CYP11B2CYP11B1CYP3A4CYP19A1HTT
SCHEMBL7963232 0.80 NR4A2 (0.39) CYP11B2CYP11B1CYP19A1GABRA1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
US-4913880-A CORROSION RESISTANCE BETZ LABORATORIES, INC. (US) 1990-04-03 US claimed
US-4906383-A Novel amine-containing copolymers and their use BETZ LABORATORIES, INC. (US) 1990-03-06 US claimed
US-4759851-A Treating aqueous medium containing calcium phosphonate with acrylic polymer BETZ LABORATORIES, INC. (US) 1988-07-26 US claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
US-5931993-A THE WATER BASED SEALER COMPRISES AN ORGANIC FILM FORMING RESIN, AN ORGANIC SOLVENT, AND EMULSIFYING AGENTS AND AN ALKYD RESIN. GLOBE MOTORS 1999-08-03 US disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed
US-5704995-A Method for forming a black, adherent coating on a metal substrate GLOBE MOTORS, A DIVISION OF LABINAL COMPONENTS AND SYSTEMS, INC. (US) 1998-01-06 US disclosed
US-4944885-A ANTIDEPOSIT, ANTISCALE BETZ LABORATORIES, INC. (US) 1990-07-31 US disclosed
US-4895664-A Water treatment polymers and methods of use thereof BETZ LABORATORIES, INC. (US) 1990-01-23 US disclosed
US-4895663-A ANTISCALING, CORROSION RESISTANCE BETZ LABORATORIES, INC. (US) 1990-01-23 US disclosed
US-4659481-A COPOLYMER OF ACRYLIC ACID OR SALT WITH ALYL HYDROXYPROPYL SULFONATE ETHER BETZ LABORATORIES INC. (US) 1987-04-21 US disclosed
EP-0142929-A2 Water soluble polymers and methods of use thereof BETZ EUROPE, INC. (US) 1985-05-29 EP disclosed
EP-0037221-B1 METHOD AND COMPOSITION FOR INHIBITING CORROSION OF METAL SURFACES IN AQUEOUS SOLUTIONS BETZ EUROPE, INC. (US) 1984-07-25 EP disclosed
US-4411865-A ZINC, CHROMATE COMPOUNDS AND ACRYLIC ACID-HYDROXY LOWER ALKYL ACRYLATE COPOLYMER BETZ LABORATORIES, INC. (US) 1983-10-25 US disclosed
US-4329250-A Low level chromate-based corrosion inhibition in aqueous mediums Betz, Laboratories, Inc. (US) 1982-05-11 US disclosed
US-4324684-A WATER SOLUBLE POLYMER WHICH KEEPS ZINC COMPOUND FROM DEPOSITING BETZ LABORATORIES, INC. (US) 1982-04-13 US disclosed
US-4297317-A ADDING A WATER-SOLUBLE COPOLYMER OF ACRYLIC ACID OR A SALT AND A HYDROXYALKYL ACRYLATE BETZ LABORATORIES, INC. (US) 1981-10-27 US disclosed
EP-0037221-A1 Method and composition for inhibiting corrosion of metal surfaces in aqueous solutions BETZ EUROPE, INC. (US) 1981-10-07 EP disclosed