SCHEMBL8100385

SCHEMBL8100385

CC(C)C(=O)NC1=C(CCCCl)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HSP90AA1 P07900 6/20 0.41
HSP90AB1 P08238 6/20 0.41
TDP2 O95551 1/20 0.40
PAX8 Q06710 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
TLR9 Q9NR96 1/20 0.40
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8092562 0.95 MAPT (0.45) MAPTALDH1A1RAB9ANPSR1CASP3
SCHEMBL8092990 0.88 TDP2 (0.44) MAPTALDH1A1RAB9ACASP3SENP8
SCHEMBL8102913 0.86 DHODH (0.43) MAPTALDH1A1HSP90AA1HSP90AB1TDP2
SCHEMBL8093156 0.86 PTPN1 (0.46) MAPTALDH1A1RAB9ACASP3SENP8
SCHEMBL8102471 0.86 HSP90AA1 (0.57) MAPTALDH1A1RAB9ANPSR1CASP3
SCHEMBL8108465 0.85 PTPN1 (0.48) MAPTALDH1A1RAB9AHSP90AA1HSP90AB1
SCHEMBL8102495 0.85 TDP2 (0.46) MAPTALDH1A1RAB9ACASP3SENP8
SCHEMBL8102489 0.84 MAPT (0.52) MAPTALDH1A1RAB9ANPSR1CASP3
SCHEMBL8092681 0.83 DHODH (0.52) MAPTALDH1A1RAB9ANPSR1CASP3
SCHEMBL8093023 0.82 TDP2 (0.64) MAPTALDH1A1RAB9ANPSR1CASP3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
US-6011133-A Laminates of glass or metal and poly(alkylene dicarboxylates) and syntheses thereof BAYLOR UNIVERSITY (US) 2000-01-04 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed
US-5837381-A MULTILAYER PROTECTIVE COATING; WEAR AND CORROSION RESISTANCE UNIV BAYLOR (US) 1998-11-17 US disclosed
US-5668224-A TETRAALKYL- OR TRIALKYLAMMONIUM END GROUPS BAYLOR UNIVERSITY 1997-09-16 US disclosed
US-5451643-A PROTECTIVE COATINGS FOR METALS OR GLASS BAYLOR UNIVERSITY (US) 1995-09-19 US disclosed
WO-1994020296-A1 POLY (ALKYLENE DICARBOXYLATES) AND SYNTHESES THEREOF BAYLOR UNIVERSITY (US) 1994-09-15 WO disclosed