SCHEMBL11267339

SCHEMBL11267339

COc1ccc(N(C)C(=O)c2ccc(Cl)c(Cl)c2)c(CCCC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE4B Q07343 1/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
LTB4R Q15722 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
SCHEMBL11265227 0.86 HSD17B10 (0.46) POLBTDP1PDE4BALDH1A1CYP1A2
SCHEMBL11260711 0.83 GPBAR1 (0.46) SLC6A4ALDH1A1HPGDPTGDR2TSHR
SCHEMBL11259607 0.82 MAPT (0.44) POLBTDP1KCNH2ALDH1A1MEN1
SCHEMBL11264258 0.81 POLB (0.45) POLBPDE4BALDH1A1CYP1A2HPGD
SCHEMBL11263458 0.80 GPBAR1 (0.45) SLC6A4ALDH1A1HPGDPTGDR2TSHR
SCHEMBL11267799 0.80 GPBAR1 (0.42) SLC6A4ALDH1A1PTGDR2TSHRSMN1; SMN2
SCHEMBL11260689 0.76 GPBAR1 (0.47) SLC6A4ALDH1A1HPGDPTGDR2TSHR
SCHEMBL11257808 0.74 MAPT (0.44) POLBTDP1KCNH2ALDH1A1MEN1
SCHEMBL3337091 0.74 GPBAR1 (0.38) SLC6A4ALDH1A1HPGDHSD17B10MEN1
SCHEMBL9687675 0.72 POLB (0.56) POLBPDE4BALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
WO-1979000586-A1 W-(2-N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS,THEIR USE AND PREPARATION,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1979-08-23 WO disclosed