SCHEMBL27370336

SCHEMBL27370336

OCc1cccc(C(F)(F)F)c1.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
PRKCA P17252 1/20 0.58
PRKCD Q05655 1/20 0.58
ACP3 P15309 1/20 0.58
IDO1 P14902 2/20 0.56
HTR2A P28223 2/20 0.55
HTR2B P41595 2/20 0.55
HTR2C P28335 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MIF P14174 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.49
GRIN2B Q13224 1/20 0.49
EPHX1 P07099 1/20 0.49
MAOB P27338 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2257 0.98 TAAR1 (0.60) TAAR1PRKCAPRKCDACP3IDO1
Alcohol SCHEMBL29251271 0.92 HTR2A (0.56) TAAR1PRKCAPRKCDACP3IDO1
SCHEMBL10269541 0.86 PRKCI (0.53) TAAR1PRKCAPRKCDACP3IDO1
SCHEMBL30777700 0.85 TAAR1 (0.61) TAAR1PRKCAPRKCDACP3IDO1
SCHEMBL29278401 0.85 TAAR1 (0.61) TAAR1PRKCAPRKCDACP3IDO1
SCHEMBL11195440 0.82 PRKCA (0.50) PRKCAPRKCDIDO1KDM4EALDH1A1
SCHEMBL156739 0.82 TAAR1 (0.67) TAAR1PRKCAPRKCDACP3IDO1
SCHEMBL2692186 0.82 PDK1 (0.46) TAAR1PRKCAPRKCDACP3IDO1
SCHEMBL14026864 0.82 TAAR1 (0.56) TAAR1PRKCAPRKCDACP3IDO1
SCHEMBL30525290 0.82 TAAR1 (0.67) TAAR1PRKCAPRKCDACP3IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165144-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1165143-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1066266-A PHOSPHOSULFONATE HERBICIDES ROHM & HAAS (US) 1992-11-18 CN disclosed