SCHEMBL10812031

SCHEMBL10812031

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.44
▸ GABRA1 P14867 4/20 0.42
▸ GABRG2 P18507 4/20 0.42
▸ GABRB3 P28472 4/20 0.42
▸ GABRA5 P31644 4/20 0.42
▸ GABRA3 P34903 4/20 0.42
▸ GABRA2 P47869 4/20 0.42
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ GABRA4 P48169 2/20 0.42
▸ GABRE P78334 2/20 0.42
▸ GABRA6 Q16445 2/20 0.42
▸ GABRG1 Q8N1C3 2/20 0.42
▸ GABRG3 Q99928 2/20 0.42
▸ GABRQ Q9UN88 2/20 0.42
▸ PDE5A O76074 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41

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
SCHEMBL10810642 0.83 KDM4E (0.41) FFAR4PDE5AALDH1A1MAPTKDM4E
SCHEMBL10808457 0.83 KDM4E (0.41) FFAR4PDE5AALDH1A1MAPTKDM4E
SCHEMBL10812819 0.81 PDE5A (0.41) FFAR4PDE5AALDH1A1MAPTHPGD
SCHEMBL10809218 0.79 NPC1 (0.42) FFAR4PDE5AALDH1A1MAPTKDM4E
SCHEMBL7879779 0.78 FFAR4 (0.47) FFAR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL7877547 0.76 CDK1 (0.47) FFAR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL10510005 0.74 SRD5A2 (0.43) FFAR4GABRA1GABRG2GABRB3GABRA5
SCHEMBL4047141 0.74 RAB9A (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31501880 0.74 RAB9A (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20944325 0.74 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3

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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