SCHEMBL9850253

SCHEMBL9850253

CCCOC(=O)c1ccc(OC(=O)c2cc3c(cc2CC)OCCC3(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.49
HNF4A P41235 1/20 0.49
RARA P10276 6/20 0.48
RARB P10826 6/20 0.48
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
RARG P13631 3/20 0.41
STS P08842 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL9850106 0.94 RXRA (0.48) RXRAHNF4ARARARARBMAPT
SCHEMBL9850185 0.92 RARA (0.56) RXRAHNF4ARARARARBMAPT
SCHEMBL9850172 0.92 RXRA (0.46) RXRAHNF4ARARARARBMAPT
SCHEMBL9850096 0.91 RARA (0.56) RXRAHNF4ARARARARBMAPT
SCHEMBL9850261 0.89 RARB (0.53) RXRAHNF4ARARARARBKMT2A
SCHEMBL9850221 0.87 RARA (0.54) RXRAHNF4ARARARARBMAPT
SCHEMBL9850098 0.86 RARA (0.53) RXRAHNF4ARARARARBMAPT
SCHEMBL9850240 0.85 RARA (0.52) RXRAHNF4ARARARARBMAPT
SCHEMBL9850358 0.84 RARB (0.50) RXRAHNF4ARARARARBKMT2A
SCHEMBL9850263 0.84 MAPT (0.45) RXRARARARARBMAPTKMT2A

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