SCHEMBL10938552

SCHEMBL10938552

COc1cc(C(=O)O)ccc1/C(F)=C(/CC/C(=C(\F)c1ccc(C(=O)O)cc1O)c1ccc2c(c1)C1CCC2C1)c1ccc2c(c1)C1CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.41
RARB P10826 1/20 0.41
HTT P42858 2/20 0.40
CFB P00751 2/20 0.37
TPMT P51580 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTGS2 P35354 1/20 0.36
TSHR P16473 1/20 0.35
PDE5A O76074 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 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
SCHEMBL10933546 0.76 CA12 (0.41) RARGRARBHTTCFBTPMT
SCHEMBL10933539 0.76 CA12 (0.41) RARGRARBHTTCFBTPMT
SCHEMBL10937669 0.75 RARG (0.53) RARGRARBHTTTPMTCA12
SCHEMBL10936502 0.72 RARG (0.43) RARGRARBCA12CA1CA2
SCHEMBL10936516 0.72 RARG (0.43) RARGRARBCA12CA1CA2
SCHEMBL10186122 0.71 CA12 (0.61) HTTCFBTPMTCA12CA1
SCHEMBL1782019 0.71 RARG (0.66) RARGRARBCA12CA1CA2
SCHEMBL1422581 0.71 RARG (0.66) RARGRARBCA12CA1CA2
SCHEMBL1782039 0.71 RARG (0.66) RARGRARBCA12CA1CA2
SCHEMBL10936711 0.70 RARG (0.54) RARGRARBCA12CA1CA2

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