SCHEMBL8453476

SCHEMBL8453476

CCCCCc1ccc(CC[C@H]2CC[C@H](CCc3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.46
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
HSD11B1 P28845 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
HTR2A P28223 1/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL8453479 1.00 RARB (0.46) RARBRARARARGHSD11B1HRH3
SCHEMBL8455944 0.99 RARB (0.47) RARBRARARARGHSD11B1HRH3
SCHEMBL8453698 0.99 RARB (0.47) RARBRARARARGHSD11B1HRH3
SCHEMBL8453689 0.99 RARB (0.47) RARBRARARARGHSD11B1HRH3
SCHEMBL8455954 0.99 RARB (0.47) RARBRARARARGHSD11B1HRH3
SCHEMBL8451717 0.97 RARB (0.41) RARBRARARARGHSD11B1SIGMAR1
SCHEMBL8451708 0.97 RARB (0.41) RARBRARARARGHSD11B1SIGMAR1
SCHEMBL8453769 0.94 SPHK1 (0.44) RARBRARARARGSPHK1
SCHEMBL8453764 0.94 SPHK1 (0.44) RARBRARARARGSPHK1
SCHEMBL8447439 0.93 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