SCHEMBL8455481

SCHEMBL8455481

CCCCCCCC1CCC(CCC2CCC(c3ccc(-c4ccc(Cl)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.37
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
ESR2 Q92731 1/20 0.34
P2RY14 Q15391 1/20 0.34
SPHK2 Q9NRA0 5/20 0.34

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
SCHEMBL8455478 1.00 SPHK1 (0.38) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8455473 1.00 SPHK1 (0.38) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8452180 0.99 CYP2C9 (0.38) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8452181 0.99 CYP2C9 (0.38) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8452183 0.99 CYP2C9 (0.38) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8451119 0.95 CYP2C9 (0.39) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8451125 0.95 CYP2C9 (0.39) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8451121 0.95 CYP2C9 (0.39) SPHK1MAPTGAACYP2C9DGAT1
SCHEMBL8453108 0.90 CYP2C9 (0.46) MAPTCYP2C9DGAT1ALDH1A1LMNA
SCHEMBL8453104 0.90 CYP2C9 (0.46) MAPTCYP2C9DGAT1ALDH1A1LMNA

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