SCHEMBL10810642

SCHEMBL10810642

CCCc1c(OCc2ccccc2)ccc2c(=O)cc(/C=C/C(=O)OCC)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AKR1C3 P42330 2/20 0.37
▸ APP P05067 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL10808457 1.00 KDM4E (0.41) KDM4ELMNAFFAR4PDE5AALDH1A1
SCHEMBL10809218 0.84 NPC1 (0.42) KDM4EFFAR4PDE5AALDH1A1POLB
SCHEMBL10812031 0.83 FFAR4 (0.44) KDM4EFFAR4PDE5AALDH1A1POLB
SCHEMBL10407970 0.81 PDE5A (0.50) KDM4ELMNAPDE5AALDH1A1POLB
SCHEMBL10407972 0.81 PDE5A (0.50) KDM4ELMNAPDE5AALDH1A1POLB
SCHEMBL10812819 0.78 PDE5A (0.41) KDM4ELMNAFFAR4PDE5AALDH1A1
SCHEMBL5688117 0.71 KDM4E (0.76) KDM4ELMNAALDH1A1APPMMP2
SCHEMBL5688120 0.71 KDM4E (0.76) KDM4ELMNAALDH1A1APPMMP2
SCHEMBL10974265 0.70 PDE5A (0.53) KDM4ELMNAPDE5AALDH1A1POLB
SCHEMBL10974259 0.70 PDE5A (0.53) KDM4ELMNAPDE5AALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079637-B1 ANTI-SRS-A CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL FORMULATION CONTAINING THEM FISONS plc (GB) 1987-01-28 — — EP disclosed
US-4474788-A Anti-SRSA quinoline carboxylic acid derivatives FISONS PLC (GB) 1984-10-02 — — US disclosed
EP-0079637-A1 Anti-srs-a carboxylic acid derivatives, processes for their production, and pharmaceutical formulation containing them FISONS plc (GB) 1983-05-25 — — EP disclosed
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