SCHEMBL8322639

SCHEMBL8322639

COc1ccc(-c2c(C(=O)O)c(C34CC5CC(CC(C5)C3)C4)cc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RARB P10826 4/20 0.47
RARG P13631 4/20 0.47
RARA P10276 3/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
HSPD1 P10809 1/20 0.47
GOT1 P17174 1/20 0.47
GLRA1 P23415 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
ALOX5 P09917 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL29929549 1.00 KMT2A (0.47) KMT2AMEN1RARBRARGRARA
SCHEMBL8322293 0.91 RARB (0.43) KMT2AMEN1RARBRARGRARA
SCHEMBL8322327 0.87 MEN1 (0.46) KMT2AMEN1RARBRARGRARA
SCHEMBL9317805 0.83 RARB (0.54) KMT2AMEN1RARBRARGRARA
SCHEMBL8572204 0.82 RARB (0.40) KMT2AMEN1RARBRARGRARA
SCHEMBL8583241 0.80 RARB (0.47) RARBRARGRARALMNATDP1
SCHEMBL17323573 0.77 MEN1 (0.45) KMT2AMEN1RARBRARGRARA
SCHEMBL29222875 0.76 WDR5 (0.45) KMT2AMEN1RARBRARGRARA
Anisole SCHEMBL8573067 0.76 KMT2A (0.38) KMT2AMEN1RARBRARGRARA
SCHEMBL9078624 0.75 KMT2A (0.47) KMT2AMEN1RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942531-A Phenolic/naphtholic retinoids for promoting skin/exoskeleton pigmentation CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-08-24 US claimed
US-5942531-A Phenolic/naphtholic retinoids for promoting skin/exoskeleton pigmentation CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-08-24 US disclosed
US-5939083-A APPLYING TO SKIN, HAIR; DEFORMABLE, HOLLOW POLYMER PARTICLES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-08-17 US disclosed
US-5939082-A REGULATING MAMMALIAN SKIN PORE SIZE BY APPLYING TO THE SKIN NIACINAMIDE AND/OR TOCOPHEROL NICOTINATE THE PROCTER & GAMBLE COMPANY (US) 1999-08-17 US disclosed