SCHEMBL3231007

SCHEMBL3231007

CC1(C)CCC(c2cc[c]cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.44
CYP2C9 P11712 2/20 0.37
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.34
ESR1 P03372 4/20 0.34
TRPA1 O75762 1/20 0.33
SLC18A3 Q16572 1/20 0.31
MOGAT2 Q3SYC2 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
SCHEMBL6578876 0.82 POLB (0.46) ESR2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL22929 0.82
SCHEMBL1443559 0.79 ESR2 (0.39) ESR2POLBESR1
SCHEMBL3226714 0.79 ESR2 (0.37) ESR2CYP2C9APPCYP3A4CYP2D6
SCHEMBL3233086 0.78 ESR2 (0.41) ESR2POLBESR1SLC18A3
SCHEMBL3234140 0.76 ESR2 (0.38) ESR2CYP2C9ESR1
SCHEMBL1089522 0.76 ESR2 (0.59) ESR2CYP2C9CYP3A4POLBESR1
SCHEMBL25039518 0.75 ESR2 (0.48) ESR2CYP2C9APPCYP3A4CYP2D6
SCHEMBL3148250 0.75 ESR2 (0.75) ESR2CYP2C9CYP3A4CYP2D6ESR1
SCHEMBL16152681 0.75 ESR2 (0.48) ESR2CYP2C9APPCYP3A4CYP2D6

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
WO-2010019828-A1 GLUCAGON RECEPTOR ANTAGONISTS METABASIS THERAPEUTICS, INC. (US) 2010-02-18 WO claimed
WO-2010019828-A1 GLUCAGON RECEPTOR ANTAGONISTS METABASIS THERAPEUTICS, INC. (US) 2010-02-18 WO disclosed