SCHEMBL9399298

SCHEMBL9399298

CCCCCc1ccc(-c2ccc(CCCCC)c(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.62
RARA P10276 2/20 0.62
RARG P13631 1/20 0.62
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MTOR P42345 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TP53 P04637 2/20 0.44

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 1.00 RARB (0.62) RARBRARARARGHSD17B10TSHR
SCHEMBL9399722 0.98 RARB (0.65) RARBRARARARGHSD17B10TSHR
SCHEMBL9400011 0.98 RARB (0.65) RARBRARARARGHSD17B10TSHR
SCHEMBL9400064 0.95 RARB (0.61) RARBRARARARGHSD17B10TSHR
SCHEMBL9510607 0.95 RARB (0.61) RARBRARARARGHSD17B10TSHR
SCHEMBL9399112 0.95 RARB (0.57) RARBRARARARGHSD17B10TSHR
SCHEMBL9663861 0.92 RARB (0.58) RARBRARARARGHSD17B10TSHR
SCHEMBL9664990 0.91 RARB (0.60) RARBRARARARGHSD17B10TSHR
SCHEMBL10301942 0.88 RARB (0.51) RARBRARARARGHSD17B10TSHR
SCHEMBL9664339 0.87 RARB (0.53) RARBRARARARGESR1PTGS2

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-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 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