SCHEMBL10933546

SCHEMBL10933546

COc1cc(C(=O)O)ccc1/C(F)=C(\C)c1cc2c(cc1C)C1CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RARG P13631 2/20 0.41
RARB P10826 1/20 0.41
TSHR P16473 2/20 0.40
CFB P00751 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TTR P02766 1/20 0.36
PYGL P06737 1/20 0.35

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
SCHEMBL10933539 1.00 CA12 (0.41) CA12CA1CA2CA4CA6
SCHEMBL10934712 0.85 RARG (0.43) RARGRARBCFBHTTLMNA
SCHEMBL10936502 0.85 RARG (0.43) CA12CA1CA2CA4CA6
SCHEMBL10936516 0.85 RARG (0.43) CA12CA1CA2CA4CA6
SCHEMBL10934691 0.85 RARG (0.43) RARGRARBCFBHTTLMNA
SCHEMBL10976714 0.84 RARG (0.50) RARGRARBCFB
SCHEMBL10976711 0.84 RARG (0.50) RARGRARBCFB
SCHEMBL10934971 0.78 RARG (0.48) CA12CA1CA2CA4CA6
SCHEMBL10934968 0.78 RARG (0.48) CA12CA1CA2CA4CA6
SCHEMBL10938552 0.76 RARG (0.41) CA12CA1CA2CA4CA6

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