SCHEMBL21165039

SCHEMBL21165039

Cc1ccc(Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
LTA4H P09960 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
NFE2L2 Q16236 1/20 0.51
IDO1 P14902 2/20 0.50
DAO P14920 1/20 0.48
ACP3 P15309 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
MIF P14174 1/20 0.46
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3237564 0.87 TAAR1 (0.64) MAPTHTR2AHTR2BHTR2CLTA4H
SCHEMBL23178028 0.86 TAAR1 (0.61) MAPTHTR2AHTR2BHTR2CTAAR1
SCHEMBL7435425 0.85 TAAR1 (0.58) MAPTHTR2AHTR2BHTR2CLTA4H
SCHEMBL30370514 0.85 TAAR1 (0.58) MAPTHTR2AHTR2BHTR2CLTA4H
SCHEMBL1551304 0.84 LTA4H (0.54) HTR2AHTR2BHTR2CLTA4HTAAR1
SCHEMBL4977397 0.82 MAOB (0.62) MAPTHTR2AHTR2BHTR2CLTA4H
SCHEMBL9885484 0.82 IDO1 (0.54) MAPTHTR2AHTR2BHTR2CLTA4H
SCHEMBL18738751 0.82 PTPN2 (0.47) MAPTHTR2AHTR2BHTR2CLTA4H
SCHEMBL20036156 0.81 HTR2A (0.49) MAPTHTR2AHTR2BHTR2CLTA4H
SCHEMBL16155871 0.81 BCHE (0.53) MAPTLTA4HTAAR1IDO1DAO

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
US-10355284-B2 Composition, method of preparing the composition, electrode including the composition, and fuel cell including the electrode SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-16 US disclosed