SCHEMBL9399210

SCHEMBL9399210

CCCCCc1ccc(CCc2ccc(OC(=O)CCCC)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
RARB P10826 3/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
FAAH O00519 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
THRB P10828 3/20 0.44
THRA P10827 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9399447 0.85 RARB (0.47) ALOX15RARBRARARARGFAAH
SCHEMBL15548000 0.85 ALOX15 (0.70) ALOX15PPARGPPARAKDM4EMEN1
SCHEMBL15548496 0.83 ALOX15 (0.68) ALOX15PPARGPPARAKDM4EMEN1
SCHEMBL15548243 0.83 ALOX15 (0.68) ALOX15PPARGPPARAKDM4EMEN1
SCHEMBL15547848 0.83 ALOX15 (0.68) ALOX15PPARGPPARAKDM4EMEN1
SCHEMBL15558254 0.83 ALOX15 (0.68) ALOX15PPARGPPARAKDM4EMEN1
SCHEMBL15557920 0.83 ALOX15 (0.68) ALOX15PPARGPPARAKDM4EMEN1
SCHEMBL15557847 0.83 ALOX15 (0.68) ALOX15PPARGPPARAKDM4EMEN1
SCHEMBL10952232 0.83 RARB (0.50) RARBRARARARGTHRBTHRA
SCHEMBL14969504 0.82 TRPV1 (0.55) RARBRARARARGPPARGPPARA

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 8 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-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed