SCHEMBL4052194

SCHEMBL4052194

CNC(=O)N(S)c1ccc(CC(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
HSP90AB1 P08238 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL4113212 0.77 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL7360766 0.76 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL11543446 0.74 ALDH1A1 (0.47) ALDH1A1GAAPOLBSMN1; SMN2NPC1
SCHEMBL11150730 0.74 ALDH1A1 (0.36) ALDH1A1GAAPOLBSMN1; SMN2NPC1
SCHEMBL4049114 0.74 CYP4Z1 (0.49) CYP4F2CYP4A11ALDH1A1GAAPOLB
SCHEMBL11550075 0.73 TDP1 (0.40) ALDH1A1GAAGFERPOLBSMN1; SMN2
SCHEMBL11372476 0.72 LMNA (0.42) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL8862126 0.72 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL166999 0.72 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL8111448 0.72 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed