SCHEMBL8567746

SCHEMBL8567746

O=C(O)c1ccccc1C#Cc1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.47
RARB P10826 5/20 0.47
RARG P13631 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HNF4A P41235 1/20 0.46
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
NR2E1 Q9Y466 1/20 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
SCHEMBL8567722 0.85 RARA (0.51) RARARARBRARGMEN1KMT2A
SCHEMBL6378001 0.82 RARA (0.65) RARARARBRARGMEN1KMT2A
SCHEMBL8567955 0.81 FAAH (0.47) RARARARBRARGMEN1KMT2A
SCHEMBL8566037 0.80 FAAH (0.42) RARARARBRARGMEN1KMT2A
SCHEMBL8570953 0.80 RARA (0.39) RARARARBRARGMEN1KMT2A
SCHEMBL8569797 0.80 RARA (0.46) RARARARBRARGMEN1KMT2A
SCHEMBL8568931 0.79 RARA (0.40) RARARARBRARGMEN1KMT2A
SCHEMBL8570613 0.79 RARA (0.38) RARARARBRARGMEN1KMT2A
SCHEMBL8574331 0.78 RARB (0.36) RARARARBRARGMEN1KMT2A
SCHEMBL8566864 0.78 CNR2 (0.47) RARARARBRARGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US claimed
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed