SCHEMBL2407154

SCHEMBL2407154

NC(=O)c1ccccc1SCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
SIRT1 Q96EB6 1/20 0.58
RAB9A P51151 5/20 0.53
FFAR1 O14842 1/20 0.52
NPC1 O15118 4/20 0.46
POLB P06746 3/20 0.46
GAA P10253 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CXCL12 P48061 1/20 0.45
CDC25B P30305 1/20 0.44
BCAT2 O15382 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14696832 0.87 CYP1A2 (0.55) CYP1A2SIRT1RAB9ANPC1POLB
SCHEMBL340809 0.85 CYP1A2 (1.00) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL31136068 0.85 CYP1A2 (1.00) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL14273063 0.82 CYP1A2 (0.73) CYP1A2RAB9AFFAR1GAAHSD17B10
SCHEMBL14273049 0.81 CYP1A2 (0.73) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL8174554 0.81 CYP1A2 (0.73) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL8174562 0.81 CYP1A2 (0.73) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL28808652 0.80 CYP1A2 (0.71) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL292247 0.80 KMT2A (0.61) CYP1A2SIRT1POLBGAAKDM4E
SCHEMBL3356549 0.79 SIRT1 (0.55) CYP1A2SIRT1HSD17B10KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011104307-A2 LIGANDS FOR ANTIBODY PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2011-09-01 WO disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 US disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 US disclosed