SCHEMBL7880347

SCHEMBL7880347

CCCCC(=O)CCCCOc1ccc(-c2ccc(OCC3OC3CCC)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 4/20 0.39
CYP19A1 P11511 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
DGAT1 O75907 1/20 0.39
RAB9A P51151 1/20 0.38
CYP4F2 P78329 6/20 0.38
CYP4A11 Q02928 6/20 0.38
RARB P10826 3/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL7883750 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8719368 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7877167 0.76 NPC1 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9228238 0.76 NPC1 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9405519 0.76 NPC1 (0.50) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9083053 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9082324 0.74 KDM4E (0.48) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7883604 0.72 RAB9A (0.48) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL7872538 0.72 RAB9A (0.48) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL7883613 0.72 RAB9A (0.48) KDM4EALDH1A1HPGDL3MBTL1MAPT

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 1 patent. 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