SCHEMBL9850153

SCHEMBL9850153

CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)OCCC3(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.64
RARB P10826 9/20 0.64
RXRA P19793 6/20 0.55
HNF4A P41235 2/20 0.55
RARG P13631 6/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RXRG P48443 3/20 0.41
RXRB P28702 2/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39

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
SCHEMBL9850096 0.93 RARA (0.56) RARARARBRXRAHNF4ARARG
SCHEMBL9850185 0.92 RARA (0.56) RARARARBRXRAHNF4ARARG
SCHEMBL9850125 0.89 RARB (0.55) RARARARBRXRAHNF4ARARG
SCHEMBL9850221 0.89 RARA (0.54) RARARARBRXRAHNF4ARARG
SCHEMBL8461526 0.87 RARA (0.62) RARARARBRXRAHNF4ARARG
SCHEMBL9850240 0.86 RARA (0.52) RARARARBRXRAHNF4ARARG
SCHEMBL9551743 0.86 RARA (0.74) RARARARBRXRAHNF4ARARG
SCHEMBL9850253 0.84 RXRA (0.49) RARARARBRXRAHNF4ARARG
SCHEMBL8460713 0.83 RARA (0.58) RARARARBRXRAHNF4ARARG
SCHEMBL9850106 0.82 RXRA (0.48) RARARARBRXRAHNF4ARARG

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