SCHEMBL8322245

SCHEMBL8322245

CC=Cc1c(C(=O)O)cccc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.52
PTPN11 Q06124 7/20 0.51
NR0B2 Q15466 3/20 0.51
RARA P10276 6/20 0.50
RARG P13631 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL9167076 0.84 RARB (0.60) RARBPTPN11NR0B2RARARARG
SCHEMBL8522832 0.83 RARB (0.52) RARBPTPN11NR0B2RARARARG
SCHEMBL8320658 0.79 RARB (0.52) RARBPTPN11NR0B2RARARARG
SCHEMBL8397774 0.79 MEN1 (0.43) RARBPTPN11NR0B2RARARARG
SCHEMBL6428471 0.74 RARB (0.38) RARBPTPN11RARARARG
SCHEMBL8522835 0.74 HSD17B10 (0.39) RARBPTPN11NR0B2RARARARG
SCHEMBL8319268 0.74 MEN1 (0.68) RARBPTPN11NR0B2RARARARG
SCHEMBL14003300 0.74 RARB (0.71) RARBPTPN11NR0B2RARARARG
SCHEMBL8394929 0.73 RARA (0.45) RARBRARARARGMEN1KMT2A
SCHEMBL7224464 0.73 RARB (0.45) RARBRARARARGKMT2ACYP3A4

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-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