SCHEMBL6947421

SCHEMBL6947421

CCCCCCCCc1cnc(-c2ccc(OC(=O)CCCCCCC3CC3)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 5/20 0.43
RAB9A P51151 5/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL9151411 1.00 RARB (0.54) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8627223 0.96 RARB (0.52) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8628038 0.96 RARB (0.52) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8628335 0.96 RARB (0.52) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8853839 0.96 RARB (0.54) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8853514 0.96 RARB (0.54) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8853845 0.96 RARB (0.54) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8853529 0.96 RARB (0.54) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8625744 0.95 RARB (0.51) RARBSMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL8447769 0.95 RARB (0.51) RARBSMN1; SMN2MAPTKMT2ARAB9A

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
EP-0639189-B1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2003-02-19 EP disclosed
EP-0541081-B1 Compounds with only a side chain for use in liquid crystal mixtures AVENTIS RES & TECH GMBH & CO (DE) 2002-04-10 EP disclosed
EP-0618914-B1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2001-10-17 EP disclosed
EP-0532916-B1 2-Fluoropyrazines, process for their preparation, and their use in liquid crystalline mixtures HOECHST AG (DE) 1997-11-05 EP disclosed
US-5407599-A Cyclopropylaklyl or -alkenyl or heterocyclic compounds, process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
EP-0318423-B1 Liquid crystalline cyclopropyl alkyl or alkenylhetero rings, process for their preparation and their use in liquid-crystal mixtures HOECHST AG (DE) 1995-02-01 EP disclosed
EP-0532916-A1 2-Fluoropyrazines, process for their preparation, and their use in liquid crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed
EP-0318423-A2 Liquid crystalline cyclopropyl alkyl or alkenylhetero rings, process for their preparation and their use in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-31 EP disclosed