SCHEMBL9435169

SCHEMBL9435169

Cc1ccc(NCC(O)CCl)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
VDR P11473 2/20 0.44
LMNA P02545 2/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
MAPK1 P28482 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL4965137 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL29355470 0.82 ADRB2 (0.47) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL3045396 0.81 GAA (0.45) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL3047840 0.81 GAA (0.45) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL3044848 0.81 GAA (0.45) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL17708436 0.80 SMN1; SMN2 (0.40) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL28614206 0.79 LMNA (0.60) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL12327881 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL11210148 0.76 MAPT (0.52) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL4826263 0.76 MAPT (0.52) SMN1; SMN2HTTALDH1A1MAPTKMT2A

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-1994004529-A1 PYRIDYL-SUBSTITUTED 1,3-OXAZOLIDINE DERIVATIVES AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1994-03-03 WO disclosed