SCHEMBL8990889

SCHEMBL8990889

CCCc1ccc(CCc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
GRM2 Q14416 1/20 0.48
MAOB P27338 2/20 0.45
RARB P10826 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
RORC P51449 6/20 0.42
KIF11 P52732 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PDE2A O00408 1/20 0.41
RORA P35398 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL8990645 0.93 APP (0.49) APPGRM2MAOBRARBAKR1C3
SCHEMBL9809575 0.89 APP (0.51) APPGRM2MAOBRARBAKR1C3
SCHEMBL9664422 0.84 RARB (0.51) RARB
SCHEMBL9662918 0.84 RARB (0.51) RARB
SCHEMBL8990710 0.83 RARB (0.56) APPGRM2MAOBRARBAKR1C3
SCHEMBL15744387 0.82 RARB (0.43) APPGRM2MAOBRARBAKR1C3
SCHEMBL8999644 0.82 RARB (0.43) APPRARBAKR1C3AKR1C2KIF11
SCHEMBL20202978 0.82 RARB (0.50) MAOBRARBTAAR1KIF11
SCHEMBL9399967 0.82 RARB (0.52) RARB
SCHEMBL6059861 0.82 APP (0.45) APPGRM2MAOBRARBAKR1C3

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-5496499-A Biphenylethanes and liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-03-05 US disclosed
EP-0429558-B1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK PATENT GMBH (DE) 1994-03-30 EP disclosed