SCHEMBL10936502

SCHEMBL10936502

C/C(=C(\F)c1ccc(C(=O)O)cc1O)c1cc2c(cc1C)C1CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.43
RARB P10826 1/20 0.43
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
PTGS2 P35354 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CREBBP Q92793 1/20 0.34
MYC P01106 3/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL10936516 1.00 RARG (0.43) RARGRARBKDM4ECA12CA1
SCHEMBL10934712 0.88 RARG (0.43) RARGRARBCREBBPCHRNA1CHRNG
SCHEMBL10934691 0.88 RARG (0.43) RARGRARBCREBBPCHRNA1CHRNG
SCHEMBL10976711 0.87 RARG (0.50) RARGRARBCREBBPCHRNA1CHRNG
SCHEMBL10976714 0.87 RARG (0.50) RARGRARBCREBBPCHRNA1CHRNG
SCHEMBL10933539 0.85 CA12 (0.41) RARGRARBCA12CA1CA2
SCHEMBL10933546 0.85 CA12 (0.41) RARGRARBCA12CA1CA2
SCHEMBL10936009 0.77 RARG (0.51) RARGRARBKDM4ECA12CA1
SCHEMBL10936000 0.77 RARG (0.51) RARGRARBKDM4ECA12CA1
SCHEMBL10937516 0.75 RARG (0.52) RARGRARBCREBBPCHRNA1CHRNG

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