SCHEMBL9513819

SCHEMBL9513819

CCCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.65
RARA P10276 2/20 0.62
RARG P13631 1/20 0.62
HSD17B10 Q99714 3/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MTOR P42345 1/20 0.48
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL9563758 1.00 RARB (0.65) RARBRARARARGHSD17B10TSHR
SCHEMBL9510907 0.98 RARB (0.63) RARBRARARARGHSD17B10TSHR
SCHEMBL10693472 0.98 RARB (0.63) RARBRARARARGHSD17B10TSHR
SCHEMBL13111984 0.97 RARB (0.64) RARBRARARARGHSD17B10TSHR
SCHEMBL13310852 0.97 RARB (0.68) RARBRARARARGHSD17B10TSHR
SCHEMBL9563730 0.97 RARB (0.68) RARBRARARARGHSD17B10TSHR
SCHEMBL14175167 0.95 RARB (0.66) RARBRARARARGHSD17B10TSHR
SCHEMBL10005519 0.94 RARB (0.65) RARBRARARARGHSD17B10TSHR
SCHEMBL17359399 0.94 RARB (0.57) RARBRARARARGHSD17B10TSHR
SCHEMBL12760412 0.94 RARB (0.57) RARBRARARARGHSD17B10TSHR

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 5 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-0281611-B1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT MERCK PATENT GMBH (DE) 1993-11-24 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
EP-0281611-A1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT. MERCK PATENT GMBH (DE) 1988-09-14 EP disclosed