SCHEMBL8453689

SCHEMBL8453689

CCCCCCc1ccc(CC[C@H]2CC[C@H](CCc3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.47
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
HTR2A P28223 1/20 0.36
HSD11B1 P28845 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR3 P46089 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL8455944 1.00 RARB (0.47) RARBRARARARGHTR2AHSD11B1
SCHEMBL8453698 1.00 RARB (0.47) RARBRARARARGHTR2AHSD11B1
SCHEMBL8455954 1.00 RARB (0.47) RARBRARARARGHTR2AHSD11B1
SCHEMBL8453479 0.99 RARB (0.46) RARBRARARARGHTR2AHSD11B1
SCHEMBL8453476 0.99 RARB (0.46) RARBRARARARGHTR2AHSD11B1
SCHEMBL8451717 0.96 RARB (0.41) RARBRARARARGHSD11B1S1PR1
SCHEMBL8451708 0.96 RARB (0.41) RARBRARARARGHSD11B1S1PR1
SCHEMBL8447434 0.94 SPHK1 (0.46) RARBRARARARGSPHK1
SCHEMBL8447439 0.94 SPHK1 (0.46) RARBRARARARGSPHK1
SCHEMBL8448277 0.94 SPHK1 (0.46) RARBRARARARGSPHK1

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