SCHEMBL8675272

SCHEMBL8675272

COc1cccc(C(=O)O)c1CCc1cc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.55
MRGPRX4 Q96LA9 7/20 0.52
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 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
SCHEMBL8677030 0.88 ABCB1 (0.56) PTGER1MRGPRX4CTSVCTSLABCB1
SCHEMBL8677039 0.84 MRGPRX4 (0.64) PTGER1MRGPRX4
SCHEMBL8677356 0.81 PTGER1 (0.59) PTGER1MRGPRX4CTSVCTSLABCB1
SCHEMBL8321719 0.81 MRGPRX4 (0.65) PTGER1MRGPRX4
SCHEMBL2313792 0.81 APEX1 (0.53) MRGPRX4KDM4EGAA
SCHEMBL8677569 0.80 MRGPRX4 (0.62) PTGER1MRGPRX4
SCHEMBL8675284 0.77 PTGER1 (0.58) PTGER1MRGPRX4CTSVCTSLKDM4E
SCHEMBL8409624 0.76 MRGPRX4 (0.66) PTGER1MRGPRX4
SCHEMBL8321739 0.76 MRGPRX4 (0.66) PTGER1MRGPRX4
SCHEMBL8675286 0.76 PTGER1 (0.54) PTGER1MRGPRX4CTSVCTSL

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed