SCHEMBL11525940

SCHEMBL11525940

NN(C(=O)C1CCCCC1C(=O)O)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NOTUM Q6P988 4/20 0.42
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GRM4 Q14833 2/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.36
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11526297 0.71 KMO (0.37) NOTUMALDH1A1KCNH2
SCHEMBL12835399 0.67 ALDH1A1 (0.65) LMNAMAPTCYP2C19MAPK1ALDH1A1
SCHEMBL5490306 0.66 CHRM2 (0.45) NOTUMKCNH2MEN1KMT2A
SCHEMBL16505883 0.65 KMO (0.68) LMNAMAPTNOTUM
SCHEMBL1942998 0.65 POLQ (0.41) LMNANOTUMALDH1A1HTTPOLB
SCHEMBL9009142 0.64 NOTUM (0.41) NOTUMKCNH2MEN1KMT2A
SCHEMBL27712572 0.64 NOTUM (0.41) NOTUMKCNH2MEN1KMT2A
SCHEMBL17060479 0.64 HTR3E (0.47) LMNAGRM4
SCHEMBL6607454 0.63 KMO (0.39) LMNAMAPTNOTUMMAPK1ALDH1A1
SCHEMBL1039397 0.62 AR (0.45) NOTUMALDH1A1KCNH2HSD17B10

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-4162329-A Combating fungi with dicarboxylic acid mono-arylhydrazides BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US disclosed