SCHEMBL8453577

SCHEMBL8453577

CCc1ccc(C2CCC(CCc3ccc(-c4ccc(Cl)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.34
DGAT1 O75907 1/20 0.34
CYP2C9 P11712 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PRCP P42785 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
PROKR1 Q8TCW9 1/20 0.32
OPRL1 P41146 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 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
SCHEMBL8453574 1.00 SPHK1 (0.34) SPHK1DGAT1CYP2C9GPR84PRCP
SCHEMBL8452698 0.93 MAOA (0.38) SPHK1DGAT1CYP2C9GPR84PRCP
SCHEMBL8452690 0.93 MAOA (0.38) SPHK1DGAT1CYP2C9GPR84PRCP
SCHEMBL8451031 0.93 GPR84 (0.38) GPR84PRCPCYP11B1CYP11B2RARA
SCHEMBL8451029 0.93 GPR84 (0.38) GPR84PRCPCYP11B1CYP11B2RARA
SCHEMBL8453455 0.91 SPHK1 (0.43) SPHK1CYP2C9RARARARBRARG
SCHEMBL8453459 0.91 SPHK1 (0.43) SPHK1CYP2C9RARARARBRARG
SCHEMBL8451822 0.91 MAOB (0.38) SPHK1DGAT1GPR84PRCPESR2
SCHEMBL8451826 0.91 MAOB (0.38) SPHK1DGAT1GPR84PRCPESR2
SCHEMBL8451079 0.91 SPHK1 (0.36) SPHK1CYP2C9ALDH1A1LMNAMAPT

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