SCHEMBL4601078

SCHEMBL4601078

Cc1ccccc1-c1ccc(C(=O)O)cc1NC(=O)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
P2RX7 Q99572 2/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CETP P11597 1/20 0.47
HDAC3 O15379 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL4615147 0.81 ALDH1A1 (0.58) GAAKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL4604019 0.80 SMN1; SMN2 (0.47) HDAC1HDAC2GAAKMT2AALDH1A1
SCHEMBL1749706 0.79 KMT2A (0.57) P2RX7GAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL31047113 0.79 ALDH1A1 (0.51) HDAC1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL6825065 0.76 P2RX7 (0.72) HDAC1HDAC2P2RX7GAAKMT2A
SCHEMBL5803069 0.76 P2RX7 (0.76) HDAC1HDAC2P2RX7GAAALDH1A1
SCHEMBL3926172 0.74 ALDH1A1 (0.57) HDAC1HDAC2KMT2AALDH1A1HPGD
SCHEMBL13833695 0.74 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL2805441 0.73 TTR (0.53) GAAKMT2AKDM4E
SCHEMBL272092 0.73 TTR (0.56) GAAKMT2AALDH1A1KDM4EHSD17B10

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