SCHEMBL9319482

SCHEMBL9319482

CCOC(=O)C(Cc1cccc(Cl)c1)N(C)C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GAA P10253 1/20 0.39
CCR5 P51681 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL9318734 0.92 PRSS1 (0.51) CYP3A4CYP2C9PRSS1PRSS2PRSS3
SCHEMBL9321088 0.90 ERCC1 (0.49) CYP3A4CYP2C9PRSS1PRSS2PRSS3
SCHEMBL9318726 0.89 LMNA (0.53) CYP3A4CYP2C9PRSS1PRSS2PRSS3
SCHEMBL9319031 0.88 ERCC1 (0.47) CYP3A4CYP2C9PRSS1PRSS2PRSS3
SCHEMBL9318523 0.88 ALOX5 (0.42) PRSS1PRSS2PRSS3LMNASMN1; SMN2
SCHEMBL9319856 0.86 CYP3A4 (0.47) CYP3A4CYP2C9PRSS1PRSS2PRSS3
SCHEMBL9318605 0.85 ALOX5 (0.45) CYP3A4CYP2C9TP53SMN1; SMN2MAPK1
SCHEMBL9319910 0.83 GRM5 (0.42) LMNASMN1; SMN2MAPTMAPK1ALOX5
SCHEMBL9319338 0.81 CCR5 (0.45) CYP3A4CYP2C9ERCC1ERCC4LMNA
SCHEMBL8073847 0.79 PPARG (0.44) LMNASMN1; SMN2MAPTMAPK1ALOX5

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
US-5350861-A Insecticides, acaricides, fungicides, antimycotic agents BAYER AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed