SCHEMBL8573281

SCHEMBL8573281

COCc1ccccc1/C=C/C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.57
PTGER2 P43116 14/20 0.57
PTGER4 P35408 12/20 0.57
PTGDR Q13258 5/20 0.54
TBXA2R P21731 4/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NFKB1 P19838 1/20 0.51
CA4 P22748 1/20 0.51
PTGFR P43088 3/20 0.51
PTGER1 P34995 6/20 0.51
PTGIR P43119 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.49
TBXAS1 P24557 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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 0.82 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL3214322 0.82 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL309761 0.82 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL27450085 0.81 PTGER3 (0.57) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL7836087 0.81 CA12 (0.51) CA1CA2HTTTBXAS1KDM4E
SCHEMBL7836085 0.81 CA12 (0.51) CA1CA2HTTTBXAS1KDM4E
SCHEMBL20920563 0.80 LMNA (0.50) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL7138830 0.80 EGFR (0.59) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL6274118 0.79 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL6274122 0.79 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R

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
WO-1997044312-A9 TWO STEP SYNTHESIS OF D- AND L- α-AMINO ACIDS AND D- AND L- α-AMINO ALDEHYDES 1998-03-12 WO disclosed
WO-1997044312-A1 TWO STEP SYNTHESIS OF D- AND L- α-AMINO ACIDS AND D- AND L- α-AMINO ALDEHYDES THE SCRIPPS RESEARCH INSTITUTE (US) 1997-11-27 WO disclosed