SCHEMBL10936302

SCHEMBL10936302

CC(=Cc1ccc(C(=O)O)cc1)c1cc2c(cc1C)SCCC2(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.74
RARG P13631 19/20 0.74
RARA P10276 14/20 0.74
RXRA P19793 13/20 0.73
RXRB P28702 5/20 0.73
RXRG P48443 5/20 0.73
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
CYP26A1 O43174 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL10936300 1.00 RARB (0.74) RARBRARGRARARXRARXRB
SCHEMBL10935622 0.86 RARB (0.56) RARBRARGRARARXRARXRB
SCHEMBL10935627 0.86 RARB (0.56) RARBRARGRARARXRARXRB
SCHEMBL9144000 0.85 RARB (0.69) RARBRARGRARARXRARXRB
SCHEMBL9143997 0.85 RARB (0.69) RARBRARGRARARXRARXRB
SCHEMBL10937398 0.85 RARB (0.54) RARBRARGRARARXRARXRB
SCHEMBL10937401 0.85 RARB (0.54) RARBRARGRARARXRARXRB
SCHEMBL9147918 0.85 RARB (0.83) RARBRARGRARARXRARXRB
SCHEMBL9147910 0.85 RARB (0.83) RARBRARGRARARXRARXRB
SCHEMBL3316409 0.85 RARB (1.00) RARBRARGRARARXRARXRB

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-0155940-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-10-02 EP disclosed
WO-1985000806-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-02-28 WO disclosed