SCHEMBL8447398

SCHEMBL8447398

Cc1ccc(C2CCC(CCc3cc(F)c(CCc4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.33
MAOB P27338 1/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
OPRL1 P41146 5/20 0.31
CCR2 P41597 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL8447395 1.00 ESR2 (0.33) ESR2MAOBCYP2C9ALDH1A1LMNA
SCHEMBL8452490 0.93 MAOB (0.40) ESR2MAOBCYP2C9ALDH1A1LMNA
SCHEMBL8452487 0.93 MAOB (0.40) ESR2MAOBCYP2C9ALDH1A1LMNA
SCHEMBL8447190 0.91 CNR1 (0.37) MAOBOPRL1
SCHEMBL8447193 0.91 CNR1 (0.37) MAOBOPRL1
SCHEMBL8450965 0.90 MAOB (0.41) MAOB
SCHEMBL8450962 0.90 MAOB (0.41) MAOB
SCHEMBL8451132 0.90 PROKR1 (0.35) ESR2MAOBCYP2C9LMNAMAPT
SCHEMBL8451127 0.90 PROKR1 (0.35) ESR2MAOBCYP2C9LMNAMAPT
SCHEMBL8452498 0.89 CYP2C9 (0.34) ESR2CYP2C9ALDH1A1LMNAMAPT

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