SCHEMBL8971545

SCHEMBL8971545

CCC[C@H]1CC[C@H](CCc2ccc(-c3ccc(Cl)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CHKA P35790 1/20 0.34
RARB P10826 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
APP P05067 2/20 0.33
CHRM3 P20309 1/20 0.33
FPR2 P25090 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL8971558 1.00 CYP11B1 (0.36) CYP11B1CYP11B2CHKARARBPSEN1
SCHEMBL8453499 0.94 MAOA (0.38) CYP11B1CYP11B2CHKARARBPSEN1
SCHEMBL8453505 0.94 MAOA (0.38) CYP11B1CYP11B2CHKARARBPSEN1
SCHEMBL8451717 0.92 RARB (0.41) CYP11B1CYP11B2CHKARARBGPR84
SCHEMBL8451708 0.92 RARB (0.41) CYP11B1CYP11B2CHKARARBGPR84
SCHEMBL8452670 0.92 CYP11B1 (0.35) CYP11B1CYP11B2CHKARARBPSEN1
SCHEMBL8452674 0.92 CYP11B1 (0.35) CYP11B1CYP11B2CHKARARBPSEN1
SCHEMBL8453479 0.91 RARB (0.46) CYP11B1CYP11B2RARBGPR84HTR2A
SCHEMBL8453476 0.91 RARB (0.46) CYP11B1CYP11B2RARBGPR84HTR2A
SCHEMBL8453689 0.90 RARB (0.47) RARBHTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511487-B1 Electro-optical liquid crystal system MERCK PATENT GMBH (DE) 1996-05-29 EP disclosed
EP-0700983-A2 Electrooptical liquid crystal system MERCK PATENT GmbH (DE) 1996-03-13 EP disclosed
US-5323251-A Liquid crystals dispersed in isotropic, transparent polymer matrix having Swiss cheese morphology; irradiation polymerization, curing MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-21 US disclosed
EP-0511487-A1 Electro-optical liquid crystal system MERCK PATENT GmbH (DE) 1992-11-04 EP disclosed