SCHEMBL7872746

SCHEMBL7872746

CCCCCCCCCCCCOc1ccc(-c2ccc(OC[C@@H]3O[C@H]3CCCC)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP19A1 P11511 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RARB P10826 3/20 0.40
MAPT P10636 1/20 0.37
ACACB O00763 2/20 0.37
NR5A1 Q13285 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR1B P28222 1/20 0.36
HTR2B P41595 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL7883709 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9082204 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9082199 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9154571 0.89 RAB9A (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9154119 0.89 RAB9A (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9083053 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9082324 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10000265 0.82 NPC1 (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8970306 0.82 CYP2D6 (0.56) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7883750 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHTTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0618914-A1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed
WO-1993013093-A1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed