SCHEMBL7669668

SCHEMBL7669668

CC(C)c1ccc(OCc2cc(C(=O)O)cc(-c3cccc(C(=N)N)c3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.65
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
F2 P00734 6/20 0.53
F10 P00742 1/20 0.52
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NR4A2 P43354 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
FFAR1 O14842 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
SCHEMBL7665464 0.90 MRGPRX4 (0.54) MRGPRX4RXRARXRBF2F10
SCHEMBL7670816 0.88 F10 (0.67) MRGPRX4F2F10NR4A2NR1H4
SCHEMBL7454069 0.86 F2 (0.70) MRGPRX4F2F10NR4A2NR1H4
SCHEMBL8072969 0.82 F2 (0.54) MRGPRX4F2F10TP53PKM
SCHEMBL7660470 0.81 F2 (0.63) MRGPRX4F2F10NR4A2NR1H4
SCHEMBL7664103 0.80 F10 (0.62) MRGPRX4F2F10NR4A2
SCHEMBL21234292 0.79 MRGPRX4 (1.00) MRGPRX4RXRARXRBTP53PKM
SCHEMBL7662094 0.78 F10 (0.46) F2F10
SCHEMBL7658103 0.77 F2 (0.53) MRGPRX4F2F10SMN1; SMN2RAB9A
SCHEMBL7449570 0.77 F2 (0.68) F2F10

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