SCHEMBL8990710

SCHEMBL8990710

CCCCCc1ccc(-c2ccc(CCc3ccc(C(F)(F)F)cc3)cc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.56
APP P05067 2/20 0.46
MAOB P27338 1/20 0.44
RARA P10276 1/20 0.44
RARG P13631 1/20 0.44
RORC P51449 3/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
RORA P35398 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HSD11B1 P28845 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PLK1 P53350 1/20 0.41
KIF11 P52732 1/20 0.41
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

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
SCHEMBL9809580 0.97 RARB (0.55) RARBAPPMAOBRARARARG
SCHEMBL9809540 0.96 RARB (0.57) RARBAPPMAOBRARARARG
SCHEMBL9809533 0.96 RARB (0.57) RARBAPPMAOBRARARARG
SCHEMBL9809543 0.96 RARB (0.57) RARBAPPMAOBRARARARG
SCHEMBL9809471 0.96 RARB (0.57) RARBAPPMAOBRARARARG
SCHEMBL10381411 0.96 RARB (0.57) RARBAPPMAOBRARARARG
SCHEMBL10382745 0.96 RARB (0.57) RARBAPPMAOBRARARARG
SCHEMBL9809587 0.96 RARB (0.57) RARBAPPMAOBRARARARG
SCHEMBL9809569 0.93 RARB (0.50) RARBAPPMAOBRARARARG
SCHEMBL8990645 0.90 APP (0.49) RARBAPPMAOBRORCAKR1C3

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