SCHEMBL8447625

SCHEMBL8447625

CCCC1CCC(CCC2CCC(c3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 6/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
CNR1 P21554 2/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOB P27338 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL8447621 1.00 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8447620 1.00 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452566 0.93 SPHK1 (0.37) OPRL1DRD2DRD3CNR1SPHK1
SCHEMBL8452572 0.93 SPHK1 (0.37) OPRL1DRD2DRD3CNR1SPHK1
SCHEMBL8452575 0.93 SPHK1 (0.37) OPRL1DRD2DRD3CNR1SPHK1
SCHEMBL8447908 0.93 OPRL1 (0.36) MEN1KMT2AOPRL1DRD2DRD3
SCHEMBL8447916 0.93 OPRL1 (0.36) MEN1KMT2AOPRL1DRD2DRD3
SCHEMBL8447911 0.93 OPRL1 (0.36) MEN1KMT2AOPRL1DRD2DRD3
SCHEMBL8452501 0.92 SPHK1 (0.39) LMNAOPRL1SPHK1
SCHEMBL8452510 0.92 SPHK1 (0.39) LMNAOPRL1SPHK1

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