SCHEMBL10489368

SCHEMBL10489368

CC(C)C[N]C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
LMNA P02545 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALOX12 P18054 2/20 0.43
KCNH2 Q12809 1/20 0.43
GSK3B P49841 2/20 0.42
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10489320 0.83 ALDH1A1 (0.45) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL10489316 0.79 GSK3B (0.50) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL10489431 0.76 CES2 (0.45) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL9509026 0.75 ALDH1A1 (0.50) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL10489365 0.73 HDAC3 (0.49) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL3822405 0.71 CES2 (0.54) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL6410944 0.71 POLB (0.60) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL6057138 0.70 ALDH1A1 (0.55) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL17572011 0.69 CES2 (0.56) ALDH1A1MAPTCES2CES1LMNA
SCHEMBL7426211 0.68 TRPA1 (0.54) MAPTRAB9ANPC1GSK3BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
US-4756741-A Azolyloxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4645525-A Azolyoxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed
US-4528379-A Preparation of substituted thiadiazolyloxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-07-09 US disclosed
US-4509971-A Benzothiazole substituted carboxylic acid amide compounds and herbicidal methods compositions thereof BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed
US-4399285-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed