SCHEMBL7900351

SCHEMBL7900351

CC1(C)CC(C(N)=O)c2cc(OCCO)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 6/20 0.41
KCNQ1 P51787 6/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 8/20 0.39
GAA P10253 8/20 0.39
KDM4E B2RXH2 7/20 0.39
HPGD P15428 4/20 0.39
GLA P06280 4/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP7 P55210 1/20 0.39
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 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
SCHEMBL7910189 0.88 KCNE1 (0.41) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7900352 0.79 CTSD (0.38) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7909655 0.76 CNR1 (0.40) CNR1CNR2ALDH1A1GAAMAPT
SCHEMBL6601023 0.76 KCNE1 (0.53) KCNE1KCNQ1KCNH2HRH3EDNRB
SCHEMBL6602327 0.74 KCNE1 (0.48) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7910522 0.73 KCNE1 (0.43) KCNE1KCNQ1ALDH1A1KCNH2MAPT
SCHEMBL7913670 0.73 ATM (0.44) CNR1CNR2ALDH1A1GAALMNA
SCHEMBL7910113 0.73 ALDH1A1 (0.37) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL6601925 0.72 KCNE1 (0.44) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7470852 0.72 KCNE1 (0.47) KCNE1KCNQ1ALDH1A1GAAKDM4E

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-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed