SCHEMBL8521998

SCHEMBL8521998

COc1ccc(C(=O)Sc2ccc(O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.53
RARB P10826 4/20 0.53
RARG P13631 4/20 0.53
LMNA P02545 4/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
PGR P06401 1/20 0.53
HSPD1 P10809 1/20 0.53
GOT1 P17174 1/20 0.53
GLRA1 P23415 1/20 0.53
BLM P54132 1/20 0.53
HSPE1 P61604 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC11 Q96DB2 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL5078203 0.91 RARA (0.65) RARARARBRARGLMNAKMT2A
SCHEMBL9737080 0.91 RARA (0.53) RARARARBRARGLMNAKMT2A
SCHEMBL9495704 0.90 RARA (0.53) RARARARBRARGLMNAKMT2A
SCHEMBL9492199 0.90 RARA (0.53) RARARARBRARGLMNAKMT2A
Hydrochloric Acid SCHEMBL9737093 0.90 RARA (0.64) RARARARBRARGLMNAKMT2A
SCHEMBL8523165 0.90 RARA (0.57) RARARARBRARGLMNAKMT2A
SCHEMBL9493337 0.86 RARA (0.49) RARARARBRARGLMNAKMT2A
SCHEMBL9492316 0.85 RARA (0.48) RARARARBRARGLMNAKMT2A
SCHEMBL9499636 0.84 RARA (0.48) RARARARBRARGLMNAKMT2A
SCHEMBL8459188 0.81 KMT2A (0.57) RARARARBRARGLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409729-B1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1994-01-12 EP claimed
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed