SCHEMBL11808581

SCHEMBL11808581

O=C(O)CCc1cnc(Oc2ccccc2)cc1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.50
▸ CAMK2A Q9UQM7 1/20 0.46
▸ FFAR4 Q5NUL3 5/20 0.45
▸ PTGER3 P43115 2/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ PLA2G10 O15496 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ GNA15 P30679 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11807967 0.82 CCNC (0.44) FFAR1PLA2G10CCNCCDK8
SCHEMBL11812368 0.80 CYP4F2 (0.48) TDP1
SCHEMBL11808573 0.77 PTGS1 (0.45) FFAR1CAMK2APLA2G10
SCHEMBL11817553 0.73 CCNC (0.43) FFAR1PLA2G10CCNCCDK8TDP1
SCHEMBL7452934 0.72 SRD5A2 (0.54) FFAR1SRD5A2
SCHEMBL11818838 0.71 CCNC (0.42) FFAR1PLA2G10CCNCCDK8
SCHEMBL11812777 0.71 CYP4F2 (0.47) —
SCHEMBL11818833 0.71 CCNC (0.42) FFAR1CCNCCDK8
SCHEMBL11834926 0.71 CCNC (0.42) FFAR1PLA2G10CCNCCDK8TDP1
SCHEMBL11153115 0.70 PTGDR2 (0.53) CAMK2APTGDR2TDP1

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
US-3994908-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIRHEUMATIC SHIONOGI & CO., LTD. (JA) 1976-11-30 — — US disclosed
US-3940403-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1976-02-24 — — US disclosed
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