SCHEMBL7731398

SCHEMBL7731398

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
MAOB P27338 6/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
PSMB5 P28074 1/20 0.42
IDO1 P14902 2/20 0.41
MIF P14174 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL7730387 1.00 TAAR1 (0.46) TAAR1MAOBMEN1KMT2APPARA
SCHEMBL7731801 0.98 TAAR1 (0.44) TAAR1MAOBMEN1KMT2APPARA
SCHEMBL7735368 0.95 THRB (0.41) TAAR1MAOBMEN1KMT2APPARA
SCHEMBL14749530 0.95 THRB (0.41) TAAR1MAOBMEN1KMT2APPARA
SCHEMBL7722899 0.90 PSEN1 (0.43) TAAR1MAOBMEN1KMT2APPARA
SCHEMBL7722878 0.90 PSEN1 (0.43) TAAR1MAOBMEN1KMT2APPARA
SCHEMBL7735178 0.90 TSHR (0.39) TAAR1MAOBKMT2APSMB5
SCHEMBL7732792 0.90 TSHR (0.45)
SCHEMBL7733396 0.90 TSHR (0.45)
SCHEMBL7733443 0.89 FAAH (0.43) TAAR1MAOBMEN1KMT2APPARA

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed