SCHEMBL11547697

SCHEMBL11547697

CCC(=O)c1cccc(SC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
ACHE P22303 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APEX1 P27695 1/20 0.38

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
SCHEMBL2378105 0.84 MAPK1 (0.47) MAPTLMNATSHRMAPK1HTT
SCHEMBL842358 0.81 MAPK1 (0.49) MAPTLMNATSHRMAPK1HTT
SCHEMBL17714286 0.80 LMNA (0.43) MAPTLMNATSHRMAPK1HTT
SCHEMBL13754029 0.80 ALDH1A1 (0.49) MAPTLMNATSHRMAPK1HTT
SCHEMBL15008446 0.80 CYP4F2 (0.49) MAPTTSHRCYP1A2CYP2C9HPGD
SCHEMBL29508729 0.80 CYP1A2 (0.63) MAPTLMNATSHRMAPK1HTT
SCHEMBL879988 0.80 CYP1A2 (0.63) MAPTLMNATSHRMAPK1HTT
SCHEMBL10348307 0.80 LMNA (0.50) MAPTLMNATSHRMAPK1HTT
SCHEMBL19014549 0.80 MEN1 (0.58) MAPTLMNATSHRMAPK1CYP1A2
SCHEMBL28140053 0.80 EPHX2 (0.49) MAPTLMNATSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148923-A 1-(3'-Trifluoromethylthiophenyl)-2-ethylaminopropane pharmaceutical composition and method for treating obesity SYNTHELABO (FR) 1979-04-10 US disclosed
US-4129598-A ANOREXIGENIC AGENTS SYNTHELABO (FR) 1978-12-12 US disclosed