SCHEMBL9850378

SCHEMBL9850378

C=CCC1(CC=C)CCOc2ccc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.48
RARB P10826 6/20 0.48
RARG P13631 6/20 0.48
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
RXRA P19793 2/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
AKR1B1 P15121 1/20 0.40
STAT3 P40763 1/20 0.38
HNF4A P41235 1/20 0.38
SSTR5 P35346 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CTNNB1 P35222 1/20 0.35
SRD5A2 P31213 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8759267 0.90 RARA (0.42) RARARARBRARGALDH1A1MAPK1
SCHEMBL7681598 0.88 KDM4E (0.46) RARARARBRARGRXRACYP26A1
SCHEMBL7682166 0.78 LMNA (0.39) AKR1B1
SCHEMBL28347731 0.76 RARA (0.54) RARARARBRARGALDH1A1MAPK1
SCHEMBL30353220 0.76 RARA (0.54) RARARARBRARGALDH1A1MAPK1
SCHEMBL23706073 0.75 RARB (0.54) RARARARBRARGALDH1A1MAPK1
SCHEMBL23706054 0.75 RARB (0.54) RARARARBRARGALDH1A1MAPK1
SCHEMBL30041725 0.75 RARB (0.54) RARARARBRARGALDH1A1MAPK1
SCHEMBL23705297 0.75 RARB (0.54) RARARARBRARGALDH1A1MAPK1
SCHEMBL7675314 0.75 AKR1B1 (0.30) AKR1B1

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
EP-0435681-A1 Chroman esters of phenols and benzoic acids having retinoid-like activity ALLERGAN, INC. (US) 1991-07-03 EP disclosed
US-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US disclosed