SCHEMBL9493798

SCHEMBL9493798

CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.45
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MTOR P42345 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
HSD11B1 P28845 1/20 0.39
CHKA P35790 1/20 0.39
MPL P40238 2/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL9493581 0.98 RARB (0.47) RARBHSD17B10TSHRRARARARG
SCHEMBL9494394 0.98 RARB (0.47) RARBHSD17B10TSHRRARARARG
SCHEMBL9496056 0.98 RARB (0.47) RARBHSD17B10TSHRRARARARG
SCHEMBL16229872 0.98 RARB (0.46) RARBHSD17B10TSHRRARARARG
SCHEMBL9485527 0.97 RARB (0.45) RARBHSD17B10TSHRRARARARG
SCHEMBL9486110 0.95 RARB (0.47) RARBHSD17B10TSHRRARARARG
SCHEMBL9486681 0.95 RARB (0.47) RARBHSD17B10TSHRRARARARG
SCHEMBL2208150 0.95 RARB (0.47) RARBHSD17B10TSHRRARARARG
SCHEMBL12740085 0.95 RARB (0.44) RARBHSD17B10TSHRRARARARG
SCHEMBL9486821 0.95 RARB (0.47) RARBHSD17B10TSHRRARARARG

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