SCHEMBL8453530

SCHEMBL8453530

CCCCCCc1ccc(CC[C@H]2CC[C@H](CCc3ccc(-c4ccc(Cl)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.52
RARA P10276 2/20 0.52
RARG P13631 1/20 0.52
HRH3 Q9Y5N1 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
SPHK1 Q9NYA1 4/20 0.39
S1PR1 P21453 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37

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
SCHEMBL8453517 1.00 RARB (0.52) RARBRARARARGHRH3HSD17B10
SCHEMBL8453523 1.00 RARB (0.52) RARBRARARARGHRH3HSD17B10
SCHEMBL8453536 1.00 RARB (0.52) RARBRARARARGHRH3HSD17B10
SCHEMBL8448529 0.99 RARB (0.50) RARBRARARARGHRH3HSD17B10
SCHEMBL8448525 0.99 RARB (0.50) RARBRARARARGHRH3HSD17B10
SCHEMBL8448252 0.95 RARB (0.45) RARBRARARARGHRH3MAPT
SCHEMBL8448249 0.95 RARB (0.45) RARBRARARARGHRH3MAPT
SCHEMBL8764719 0.93 SPHK1 (0.50) RARBRARARARGSPHK1
SCHEMBL8448471 0.93 SPHK1 (0.50) RARBRARARARGSPHK1
SCHEMBL8448477 0.93 SPHK1 (0.50) 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