SCHEMBL1387045

SCHEMBL1387045

CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)(F)F)c2)C(=O)c2cc(Cl)cc3cc[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
CNR1 P21554 1/20 0.38
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
PPARD Q03181 2/20 0.36
ATM Q13315 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
SLC6A9 P48067 1/20 0.34
CETP P11597 1/20 0.34
C5AR1 P21730 1/20 0.34
SLC2A1 P11166 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 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
SCHEMBL1385185 0.90 LMNA (0.38) LPAR1LPAR5CNR1PPARGPPARA
SCHEMBL5529637 0.87 ATM (0.36) LPAR1LPAR5CNR1PPARGPPARA
SCHEMBL5527039 0.85 GRM5 (0.38) LPAR1LPAR5PPARGPPARAPPARD
SCHEMBL5529641 0.84 PPARG (0.37) LPAR1LPAR5PPARGPPARAPPARD
SCHEMBL12520790 0.84 LPAR1 (0.47) LPAR1LPAR5CNR1PPARGPPARA
SCHEMBL3587845 0.83 LPAR1 (0.42) LPAR1LPAR5CNR1PPARGPPARA
SCHEMBL5529903 0.83 SLC2A1 (0.38) LPAR1LPAR5PPARGPPARAPPARD
SCHEMBL12521005 0.81 LPAR1 (0.44) LPAR1LPAR5CNR1PPARGPPARA
SCHEMBL3581404 0.81 CNR1 (0.43) LPAR1LPAR5CNR1PPARGPPARA
SCHEMBL3583813 0.81 CNR1 (0.41) LPAR1LPAR5CNR1PPARGPPARA

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
JP-4787254-B2 2011-10-05 JP claimed