SCHEMBL8985158

SCHEMBL8985158

NCCc1ccccc1C=CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.62
PTGER2 P43116 11/20 0.62
PTGER4 P35408 9/20 0.62
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NFKB1 P19838 1/20 0.53
CA4 P22748 1/20 0.53
PTGDR Q13258 5/20 0.52
TBXA2R P21731 4/20 0.52
PTGFR P43088 3/20 0.52
PTGER1 P34995 4/20 0.52
PTGIR P43119 2/20 0.51
TBXAS1 P24557 1/20 0.49
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL23175040 0.90 PTGER3 (0.55) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL8105303 0.86 PTGER3 (0.61) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL8105301 0.86 PTGER3 (0.61) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL22070625 0.84 PTGER3 (0.59) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL28893816 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL18076297 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL10351248 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL10350742 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL3256824 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL1716822 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4CA1CA2

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-5541286-A Bradykinin antagonist pseudopeptide derivatives of olefinic aminoalkanoic acids SCIOS NOVA INC. (US) 1996-07-30 US disclosed
US-5444048-A Antiinflammatory agents, analgesics SCIOS NOVA, INC. (US) 1995-08-22 US disclosed