SCHEMBL6971123

SCHEMBL6971123

[CH2]OC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 6/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
HPGD P15428 5/20 0.53
KMT2A Q03164 3/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ESR1 P03372 1/20 0.49

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
SCHEMBL7139810 0.84 ALDH1A1 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPT
SCHEMBL15385 0.83 SMN1; SMN2 (0.63) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL1501319 0.83 SMN1; SMN2 (0.63) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL10715347 0.82 SMN1; SMN2 (0.61) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL669388 0.82 SMN1; SMN2 (0.61) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL608814 0.80 ABL1 (0.68) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL11069437 0.80 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL6790464 0.80 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL6790467 0.80 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL28924800 0.80 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-20030114449-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2003-06-19 US disclosed
EP-1255756-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2002-11-13 EP disclosed
WO-2001044245-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed