SCHEMBL9247334

SCHEMBL9247334

Cn1cc(-c2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)nc1-c1ccc(CCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
FFAR1 O14842 4/20 0.38
MASP2 O00187 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
KLK8 O60259 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLK1 P06870 1/20 0.36
KLK2 P20151 1/20 0.36
KLK4 Q9Y5K2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP12 P39900 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35

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
SCHEMBL9255728 0.90 KDM4E (0.37) PTGDR2MASP2CASP1KLK8F2
SCHEMBL9255100 0.88 KDM4E (0.36) PTGDR2MASP2CASP1KLK8F2
SCHEMBL9256883 0.86 KDM4E (0.36) MASP2CASP1
SCHEMBL9253096 0.85 TDP1 (0.40)
SCHEMBL7302595 0.82 FFAR1 (0.52) FFAR1FFAR4CASP1HTTKLK8
SCHEMBL9257104 0.82 HRH3 (0.39)
SCHEMBL9257665 0.82 EDNRB (0.36) MASP2CASP1
SCHEMBL9257842 0.80 HRH3 (0.34)
SCHEMBL9256151 0.79 HPGD (0.35)
SCHEMBL9254248 0.79 CASP1 (0.35) CASP1

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed