SCHEMBL10407553

SCHEMBL10407553

CC1(C)CC(CCO)c2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
TRPV1 Q8NER1 7/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL10407835 0.84 TRPV1 (0.35) HTTTRPV1KDM4EALDH1A1GAA
SCHEMBL15732095 0.82 KCNE1 (0.38) HTTTRPV1KCNE1KCNQ1LMNA
SCHEMBL24090503 0.81 TRPV1 (0.37) HTTTRPV1KCNE1KCNQ1LMNA
SCHEMBL7913673 0.81 HTR2A (0.39) HTTTRPV1KCNE1KCNQ1LMNA
Alcohol SCHEMBL10531474 0.79 KCNE1 (0.42) HTTTRPV1KCNE1KCNQ1LMNA
SCHEMBL17061216 0.79 PTGDR2 (0.44) TRPV1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL3580439 0.78 MEN1 (0.43) HTTTRPV1KCNE1KCNQ1LMNA
SCHEMBL15021653 0.78 MEN1 (0.43) HTTTRPV1KCNE1KCNQ1LMNA
SCHEMBL31253977 0.78 MEN1 (0.43) HTTTRPV1KCNE1KCNQ1LMNA
SCHEMBL13573386 0.78 MEN1 (0.43) HTTTRPV1KCNE1KCNQ1LMNA

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-4977166-A ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS RHONE-POULENC SANTE (FR) 1990-12-11 US disclosed