SCHEMBL11566635

SCHEMBL11566635

CCCC(C)(C)CC(=O)CC(C)(C)CCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL14139514 0.90 TDP1 (0.43) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL13183349 0.85 KDM4E (0.37) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL8896826 0.84 CES1 (0.42) TDP1FFAR1CPT2ALDH1A1CES2
SCHEMBL7412477 0.84 FFAR1 (0.45) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL1784497 0.81 TDP1 (0.41) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL20490046 0.81 FFAR1 (0.41) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL1409491 0.81 TSHR (0.43) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL974936 0.81 FFAR1 (0.65) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL14269321 0.80 MGAM (0.38) TDP1FFAR1CPT2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5669465 0.79 FFAR1 (0.62) TDP1FFAR1CPT2ALDH1A1LMNA

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-4164511-A Manufacture of N-arylglycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 US disclosed