SCHEMBL4601494

SCHEMBL4601494

Cc1ccccc1-c1ccc(C(=O)O)c(C(=O)N2CCC(N3CCCC3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 16/20 0.58
L3MBTL1 Q9Y468 15/20 0.58
TP53BP1 Q12888 6/20 0.56
MBTD1 Q05BQ5 6/20 0.56
SMYD2 Q9NRG4 1/20 0.53
L3MBTL4 Q8NA19 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
OPRK1 P41145 1/20 0.51
PHF20 Q9BVI0 1/20 0.51
MORF4L1 Q9UBU8 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.49
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2914468 0.74 L3MBTL3 (0.65) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL27537578 0.74 MCL1 (0.73) KMT2AMCL1CYP2C9
SCHEMBL1085344 0.72 L3MBTL3 (0.72) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL8163565 0.71 L3MBTL3 (0.83) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL1083716 0.70 L3MBTL3 (0.58) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL10293557 0.70 L3MBTL3 (1.00) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL3690932 0.70 HRH3 (0.47) L3MBTL3L3MBTL1MBTD1SMYD2
SCHEMBL4943334 0.70 MCL1 (0.71) MCL1
SCHEMBL1083720 0.69 L3MBTL3 (0.53) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL3399560 0.69 HTR2C (0.62) L3MBTL3L3MBTL1TP53BP1MBTD1SMYD2

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
EP-1940786-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2008-07-09 EP disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 WO disclosed