SCHEMBL15848612

SCHEMBL15848612

CC1CC(OCc2ccccc2)C(O)(OCc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.37
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL28638632 0.80 LMNA (0.41) BCHE
SCHEMBL27788767 0.71 LMNA (0.43) BCHE
SCHEMBL28031307 0.70 TSHR (0.40) OPRM1OPRL1
SCHEMBL19598518 0.68 OPRM1 (0.41) BCHEMAPTCYP2C19OPRM1OPRL1
SCHEMBL28201268 0.68 TSHR (0.39) OPRM1OPRL1
SCHEMBL15674250 0.67 OPRM1 (0.40) OPRM1OPRL1GRM2GRM3PDPK1
SCHEMBL24792758 0.67 OPRM1 (0.47) OPRM1OPRL1PDPK1MTOR
SCHEMBL24792755 0.67 OPRM1 (0.47) OPRM1OPRL1PDPK1MTOR
SCHEMBL24792759 0.67 OPRM1 (0.47) OPRM1OPRL1PDPK1MTOR
SCHEMBL30137974 0.67 OPRM1 (0.47) OPRM1OPRL1PDPK1MTOR

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
EP-2938190-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2015-11-04 EP disclosed
WO-2014105817-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2014-07-03 WO disclosed