SCHEMBL8447516

SCHEMBL8447516

CCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
FASN P49327 1/20 0.34
APP P05067 3/20 0.32
RARB P10826 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRL1 P41146 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM3 P20309 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31

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
SCHEMBL8447517 1.00 CYP11B1 (0.36) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8447520 1.00 CYP11B1 (0.36) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8448424 0.99 MAPT (0.35) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8448230 0.99 MAPT (0.35) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8448422 0.99 MAPT (0.35) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8448232 0.99 MAPT (0.35) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8448420 0.99 MAPT (0.35) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8448234 0.99 MAPT (0.35) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8452645 0.97 CYP11B1 (0.36) CYP11B1CYP11B2CYP2C9CYP3A4MAPT
SCHEMBL8452638 0.97 CYP11B1 (0.36) CYP11B1CYP11B2CYP2C9CYP3A4MAPT

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-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed