SCHEMBL9319910

SCHEMBL9319910

CCOC(=O)C(Cc1cccc(Cl)c1)N(C)C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
ALOX5 P09917 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PNMT P11086 1/20 0.38
RIPK1 Q13546 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HPGD P15428 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL9318523 0.89 ALOX5 (0.42) GRM5ALOX5PDE3BPDE3AKMT2A
SCHEMBL9318664 0.89 MMP8 (0.43) ALOX5KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL9318604 0.87 EPHX2 (0.41) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL9318712 0.85 NR3C1 (0.36) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL9318605 0.83 ALOX5 (0.45) ALOX5SMN1; SMN2ALDH1A1MAPK1
SCHEMBL9319482 0.83 CYP3A4 (0.47) ALOX5PDE3BPDE3AKMT2ASMN1; SMN2
SCHEMBL9319230 0.82 EPHX2 (0.39) PDE3BPDE3ALMNAALDH1A1MAPT
SCHEMBL9320946 0.81 GRM5 (0.38) GRM5ALOX5KMT2ASMN1; SMN2MEN1
SCHEMBL8073847 0.80 PPARG (0.44) ALOX5KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9318888 0.79 MMP8 (0.43) KMT2AMEN1LMNAALDH1A1

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