SCHEMBL7709247

SCHEMBL7709247

COC(=O)c1ccc(C#CC(O)c2ccc(OC)c(C(C)(C)C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
WDR5 P61964 1/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PTPN11 Q06124 1/20 0.38
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7713101 0.90 RARB (0.52) RARARARBRARGTSHRWDR5
SCHEMBL7713192 0.87 THRA (0.41) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL7715138 0.86 THRA (0.48) HPGDKDM4EALDH1A1
SCHEMBL8681592 0.78 RARA (0.44) RARARARBRARGHPGDALDH1A1
SCHEMBL8611723 0.76 THRA (0.42) RARARARBRARGHPGDKDM4E
SCHEMBL7928381 0.76 ALDH1A1 (0.37) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5027170 0.76 MAPT (0.58) RARARARBRARGHPGDKDM4E
SCHEMBL7714818 0.75 RARA (0.39) RARARARBRARGHPGDALDH1A1
SCHEMBL8606595 0.75 THRA (0.50) RARBHPGDALDH1A1TSHRPTPN11
SCHEMBL8681589 0.74 RARA (0.42) RARARARBRARGHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed