SCHEMBL7656178

SCHEMBL7656178

COC(=O)c1cc(COCc2cccc(CNC(=O)OC(C)(C)C)c2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
CHRM3 P20309 3/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.39
PLAU P00749 1/20 0.39
HDAC1 Q13547 1/20 0.38
GLS O94925 3/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 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
SCHEMBL7663246 0.83 MRGPRX4 (0.48) MRGPRX4PLAU
SCHEMBL3415738 0.80 CHRM3 (0.51) CTSSCTSBCTSKCHRM3BRD4
SCHEMBL21711969 0.79 HDAC1 (0.45) CTSSCTSBCTSKCHRM3BRD4
SCHEMBL352314 0.78 ERCC1 (0.52) CTSSCTSBCTSKBRD4CREBBP
SCHEMBL7668689 0.78 PLAU (0.43) MRGPRX4CTSSCTSKPLAUEGLN1
SCHEMBL7668685 0.77 MRGPRX4 (0.45) MRGPRX4PLAU
SCHEMBL7670999 0.77 MRGPRX4 (0.46) MRGPRX4CHRM3PLAUEGLN1
SCHEMBL7038825 0.76 NOTCH1 (0.44)
SCHEMBL7660510 0.76 NR1H2 (0.45) EGLN1PDCD1CD274
SCHEMBL6748324 0.76 HRH2 (0.49) CD274

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-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed