SCHEMBL28181546

SCHEMBL28181546

CC(C)C1CCC(C)(c2ccccc2)C(C)(c2ccccc2)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
OPRL1 P41146 3/20 0.32
TRPA1 O75762 1/20 0.32
OPRK1 P41145 2/20 0.31
ABCB1 P08183 1/20 0.31
KDM1A O60341 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8083109 0.75 TRPA1 (0.37) ATMCYP3A4NPSR1MAPTMEN1
SCHEMBL27485524 0.73 OPRL1 (0.35) CYP2D6OPRL1
SCHEMBL27847723 0.73 OPRL1 (0.35) CYP2D6OPRL1OPRK1HTTOPRM1
SCHEMBL8083114 0.72 OPRL1 (0.37) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL28855370 0.72 OPRL1 (0.34) CYP2D6OPRL1OPRK1KDM1AMAOB
SCHEMBL11755106 0.72 OPRL1 (0.34) CYP2D6OPRL1OPRK1KDM1AMAOB
SCHEMBL4740428 0.71 OPRL1 (0.36) CYP2D6OPRL1KDM1AMAOB
SCHEMBL27561826 0.71 OPRL1 (0.40) CYP2D6OPRL1OPRK1OPRM1
SCHEMBL28118550 0.69 OPRL1 (0.32) OPRL1
SCHEMBL28311498 0.69 OPRL1 (0.32) OPRL1

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
CN-104470356-B Water-in-oil (W/O) insecticide formulation 拜尔农作物科学股份公司 2017-10-31 CN disclosed