SCHEMBL9399112

SCHEMBL9399112

CCCCCc1ccc(-c2ccc(CCC)cc2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.57
RARA P10276 3/20 0.57
RARG P13631 1/20 0.57
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTR2A P28223 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MTOR P42345 1/20 0.43
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX5 P09917 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL9399744 0.95 RARB (0.62) RARBRARARARGTSHRHSD17B10
SCHEMBL9399298 0.95 RARB (0.62) RARBRARARARGTSHRHSD17B10
SCHEMBL9663861 0.94 RARB (0.58) RARBRARARARGTSHRHSD17B10
SCHEMBL9510607 0.94 RARB (0.61) RARBRARARARGTSHRHSD17B10
SCHEMBL9399722 0.94 RARB (0.65) RARBRARARARGTSHRHSD17B10
SCHEMBL9400011 0.94 RARB (0.65) RARBRARARARGTSHRHSD17B10
SCHEMBL9400064 0.94 RARB (0.61) RARBRARARARGTSHRHSD17B10
SCHEMBL9664990 0.92 RARB (0.60) RARBRARARARGTSHRHSD17B10
SCHEMBL9399833 0.90 RARB (0.48) RARBRARARARGHSD17B10MAPT
SCHEMBL16377225 0.90 RARB (0.48) RARBRARARARGHSD17B10MAPT

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-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed