SCHEMBL7722899

SCHEMBL7722899

CCCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
MAOB P27338 6/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
IDO1 P14902 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
SCHEMBL7722878 1.00 PSEN1 (0.43) PSEN1MAOBTAAR1MEN1KMT2A
SCHEMBL7730087 0.98 PSEN1 (0.43) PSEN1MAOBTAAR1MEN1KMT2A
SCHEMBL7729408 0.95 FAAH (0.43) PSEN1MAOBTAAR1MEN1KMT2A
SCHEMBL7733443 0.95 FAAH (0.43) PSEN1MAOBTAAR1MEN1KMT2A
SCHEMBL7732798 0.95 CA2 (0.41) PSEN1MEN1KMT2APPARAHDAC1
SCHEMBL7730131 0.94 FAAH (0.42) PSEN1MAOBTAAR1MEN1KMT2A
SCHEMBL7731911 0.92 FAAH (0.45) MEN1KMT2A
SCHEMBL7731366 0.92 FAAH (0.39) PSEN1MEN1KMT2APPARAHDAC1
SCHEMBL7733465 0.91 FAAH (0.48) MEN1KMT2A
SCHEMBL7729811 0.91 FAAH (0.41) PSEN1MEN1KMT2APPARAHDAC1

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed