SCHEMBL7668685

SCHEMBL7668685

COC(=O)c1cc(COCc2ccc(C(C)C)cc2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
PLAU P00749 1/20 0.43
MCHR1 Q99705 7/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
KAT6A Q92794 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
MME P08473 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL7658946 0.90 MRGPRX4 (0.51) MRGPRX4PLAUMMP13
SCHEMBL7663246 0.89 MRGPRX4 (0.48) MRGPRX4PLAUKAT6A
SCHEMBL7668689 0.87 PLAU (0.43) MRGPRX4PLAUMMP12MMP13KAT6A
SCHEMBL7662094 0.83 F10 (0.46)
SCHEMBL6751413 0.81 PLAU (0.47) MRGPRX4PLAUMMP12MMP13KAT6A
SCHEMBL7662548 0.80 MRGPRX4 (0.51) MRGPRX4PLAUKAT6A
SCHEMBL7714047 0.80 MRGPRX4 (0.51) MRGPRX4PLAUKAT6A
SCHEMBL6753784 0.80 LOXL2 (0.53) MRGPRX4PLAUMMP12MMP13KAT6A
SCHEMBL6749963 0.80 CYP4F2 (0.48) MRGPRX4PLAUMMP12MMP13KAT6A
SCHEMBL7041658 0.79 CCR5 (0.44) MRGPRX4PLAUMCHR1

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