SCHEMBL7732798

SCHEMBL7732798

CCCCc1ccc(OC(F)(F)c2ccc(C(F)(F)Oc3ccc(CCCC)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
FAAH O00519 1/20 0.41
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
THRB P10828 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
PSEN1 P49768 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 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
SCHEMBL7731366 0.97 FAAH (0.39) CA2CA1FAAHPLK1ALDH1A1
SCHEMBL7731911 0.97 FAAH (0.45) FAAHALDH1A1THRBHSD17B10SMN1; SMN2
SCHEMBL7729811 0.95 FAAH (0.41) CA2CA1FAAHPLK1ALDH1A1
SCHEMBL7722878 0.95 PSEN1 (0.43) PPARAPSEN1HDAC1MEN1KMT2A
SCHEMBL7722561 0.95 FAAH (0.48) FAAHALDH1A1THRBHSD17B10SMN1; SMN2
SCHEMBL7722899 0.95 PSEN1 (0.43) PPARAPSEN1HDAC1MEN1KMT2A
SCHEMBL7731048 0.95 FAAH (0.48) FAAHALDH1A1THRBHSD17B10SMN1; SMN2
SCHEMBL7733465 0.95 FAAH (0.48) FAAHALDH1A1THRBHSD17B10SMN1; SMN2
SCHEMBL7735066 0.95 FAAH (0.48) FAAHALDH1A1THRBHSD17B10SMN1; SMN2
SCHEMBL7732506 0.95 HDAC3 (0.45) CA2CA1FAAHPLK1ALDH1A1

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