SCHEMBL5873000

SCHEMBL5873000

CCc1ccccc1C=CC(=O)O.CCc1ccccc1C=CC(=O)O.O=C(O)c1cc(O)c(C(=O)O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NFKB1 P19838 1/20 0.53
CA4 P22748 1/20 0.53
PTGER3 P43115 10/20 0.50
PTGER2 P43116 9/20 0.50
PTGER4 P35408 7/20 0.50
PTGER1 P34995 3/20 0.49
PTGDR Q13258 5/20 0.49
TBXA2R P21731 4/20 0.49
PTGFR P43088 3/20 0.49
PTGIR P43119 2/20 0.48
CHRNA7 P36544 2/20 0.46
TBXAS1 P24557 1/20 0.43
PTPN1 P18031 1/20 0.41
HNF4A P41235 1/20 0.41
PTGS2 P35354 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C3 P42330 1/20 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
SCHEMBL1150939 0.86 PTGER3 (0.63) CA1CA2NFKB1CA4PTGER3
SCHEMBL309761 0.86 PTGER3 (0.63) CA1CA2NFKB1CA4PTGER3
SCHEMBL3214322 0.86 PTGER3 (0.63) CA1CA2NFKB1CA4PTGER3
SCHEMBL7134072 0.78 EGFR (0.57) CA1CA2NFKB1CA4PTGER3
Methacrylic Acid SCHEMBL10714797 0.78 PTGER3 (0.54) CA1CA2NFKB1CA4PTGER3
SCHEMBL10496487 0.77 CLCN2 (0.49) CA1CA2CA4PTGER3PTGER2
SCHEMBL9797967 0.77 CLCN2 (0.49) CA1CA2CA4PTGER3PTGER2
SCHEMBL5007834 0.77 PTGER3 (0.52) CA1CA2NFKB1CA4PTGER3
Carvacrol SCHEMBL17474322 0.76 TRPA1 (0.50) CA1CA2NFKB1CA4PTGER3
SCHEMBL3256824 0.75 PTGER3 (0.58) CA1CA2NFKB1CA4PTGER3

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-7019104-B1 Diamine novel acid dianhydride and novel polyimide composition formed therefrom KANEKA CORPORATION (JP) 2006-03-28 US disclosed