SCHEMBL11830587

SCHEMBL11830587

Cc1cccc(C=CC(=O)O)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.71
PTGER2 P43116 4/20 0.71
PTGER4 P35408 3/20 0.71
PTGER1 P34995 2/20 0.71
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
NFKB1 P19838 1/20 0.56
CA4 P22748 1/20 0.56
IAPP P10997 4/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
PARP1 P09874 1/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL9658945 1.00 PTGER3 (0.71) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL13177051 0.86 PTGER1 (0.56) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL1404989 0.85 IAPP (0.71) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL1404990 0.85 IAPP (0.71) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL7805023 0.84 PTGER2 (1.00) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL7805026 0.84 PTGER2 (1.00) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL690917 0.83 CA1 (0.53) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL691503 0.83 CA1 (0.53) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL4670448 0.83 PTGER1 (0.52) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL30560916 0.83 CA1 (0.53) PTGER3PTGER2PTGER4PTGER1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3998851-A PREPARATION OF COUMARINS UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-12-21 US disclosed