SCHEMBL16067482

SCHEMBL16067482

C[C@@H](Cc1ccc(F)cc1)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
TSHR P16473 2/20 0.43
CPA1 P15085 1/20 0.43
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HPGD P15428 1/20 0.41
EPHX1 P07099 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2747604 0.84 TAAR1 (0.53) TSHRCYP2C9LMNACHRM2CHRM4
SCHEMBL2747602 0.84 TAAR1 (0.53) TSHRCYP2C9LMNACHRM2CHRM4
SCHEMBL9136582 0.84 PPARG (0.44) PPARGPPARATSHRCYP2C9LMNA
SCHEMBL2561209 0.84 NPC1 (0.45) TSHRCYP2C9LMNACHRM2CHRM4
SCHEMBL1811694 0.84 SLC6A2 (0.50) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28914994 0.84 SLC6A2 (0.50) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28237997 0.84 SLC6A2 (0.50) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL23347558 0.83 TRPA1 (0.49) TRPA1PPARGPPARATSHRCPA1
SCHEMBL22474262 0.83 TRPA1 (0.45) TRPA1PPARGPPARATSHRCPA1
SCHEMBL23347642 0.83 TRPA1 (0.49) TRPA1PPARGPPARATSHRCPA1

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
WO-2014142519-A1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2014-09-18 WO disclosed