SCHEMBL9399694

SCHEMBL9399694

CCCCCCCc1ccc(-c2ccc(OCCCC)c(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.59
RARA P10276 3/20 0.59
RARG P13631 1/20 0.59
S1PR1 P21453 2/20 0.54
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
PTPN11 Q06124 2/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL10976307 1.00 RARB (0.59) RARBRARARARGS1PR1MEN1
SCHEMBL10976084 1.00 RARB (0.59) RARBRARARARGS1PR1MEN1
SCHEMBL10982546 1.00 RARB (0.59) RARBRARARARGS1PR1MEN1
SCHEMBL10978778 1.00 RARB (0.59) RARBRARARARGS1PR1MEN1
SCHEMBL10983275 1.00 RARB (0.59) RARBRARARARGS1PR1MEN1
SCHEMBL10977024 1.00 RARB (0.59) RARBRARARARGS1PR1MEN1
SCHEMBL9399749 0.99 RARB (0.57) RARBRARARARGS1PR1MEN1
SCHEMBL9398849 0.99 RARB (0.57) RARBRARARARGS1PR1MEN1
SCHEMBL10979446 0.97 RARB (0.59) RARBRARARARGS1PR1MEN1
SCHEMBL10986195 0.97 RARB (0.59) RARBRARARARGS1PR1MEN1

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 9 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-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
EP-0074608-B1 LIQUID CRYSTAL HALOGEN COMPOUNDS, PROCESS FOR THEIR PREPARATION, DIELECTRIC AND DECTROOPTICAL DISPLAY ELEMENT CONTAINING THEM MERCK PATENT GmbH (DE) 1985-07-03 EP disclosed
US-4490305-A Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0074608-A2 Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them MERCK PATENT GmbH (DE) 1983-03-23 EP disclosed