SCHEMBL21183183

SCHEMBL21183183

CC(C)Cc1cccc(OC(C)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
CETP P11597 3/20 0.41
MEP1B Q16820 1/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DAO P14920 1/20 0.38
ACHE P22303 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PNMT P11086 1/20 0.37
DHFR P00374 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
SCHEMBL8179937 0.89 MEP1B (0.51) TAAR1MEP1BPPARGPPARADAO
SCHEMBL5018939 0.85 TAAR1 (0.53) TAAR1CETPACHEDHFR
SCHEMBL8221051 0.85 TAAR1 (0.46) TAAR1CETPMEP1BPPARGPPARA
SCHEMBL26828702 0.84 MAPK1 (0.47) TAAR1CETPMEP1B
SCHEMBL24497436 0.82 TAAR1 (0.59) TAAR1HTR2AHTR2CHTR2BPNMT
SCHEMBL9538055 0.81 TAAR1 (0.56) TAAR1CETPPPARGPPARAGABRA1
SCHEMBL19679860 0.81 TAAR1 (0.49) TAAR1
SCHEMBL5961819 0.80 MTNR1A (0.40) TAAR1
SCHEMBL449889 0.79 TAAR1 (0.76) TAAR1
SCHEMBL9336410 0.78 TAAR1 (0.53) TAAR1CETPHTR2AHTR2CHTR2B

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
EP-3152216-B1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed