SCHEMBL9494601

SCHEMBL9494601

CCCCCc1ccc(-c2ccc(-c3c(F)cc(CCCCC)cc3F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.56
RARA P10276 2/20 0.56
RARG P13631 1/20 0.56
HSD17B10 Q99714 3/20 0.50
HTR2A P28223 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MTOR P42345 1/20 0.49
HRH3 Q9Y5N1 1/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL14453078 0.92 RARB (0.48) RARBRARARARGHSD17B10HTR2A
SCHEMBL17108449 0.89 RARB (0.43) RARBRARARARGHTR2ATSHR
SCHEMBL13632415 0.87 NPC1 (0.44) RARBRARARARGHSD17B10ALDH1A1
SCHEMBL17108392 0.86 RARB (0.41) RARBRARARARGHSD17B10HTR2A
SCHEMBL16521127 0.85 RARB (0.56) RARBRARARARGHSD17B10HTR2A
SCHEMBL18416778 0.85 RARB (0.56) RARBRARARARGHSD17B10HTR2A
SCHEMBL16258122 0.85 RARB (0.56) RARBRARARARGHSD17B10HTR2A
SCHEMBL16258054 0.85 RARB (0.56) RARBRARARARGHSD17B10HTR2A
SCHEMBL12966415 0.84 RARB (0.55) RARBRARARARGHSD17B10HTR2A
SCHEMBL24401721 0.83 RARB (0.47) RARBRARARARGHSD17B10HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO disclosed