SCHEMBL7872693

SCHEMBL7872693

CCCC[C@@H]1O[C@H]1COc1ccc(-c2ncc(O)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.39
GPR84 Q9NQS5 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 7/20 0.36
CYP2C19 P33261 7/20 0.36
CYP2D6 P10635 7/20 0.36
CYP19A1 P11511 6/20 0.36
CYP3A4 P08684 4/20 0.36
LTA4H P09960 2/20 0.36
NR5A1 Q13285 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.35
RARB P10826 1/20 0.34

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
SCHEMBL7883739 0.92 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL10000263 0.91 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7883604 0.89 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7872538 0.89 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7883613 0.89 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL10000265 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7506274 0.84 RARB (0.51) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9174769 0.84 RARB (0.51) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7878933 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9378838 0.84 RARB (0.51) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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 5 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
US-5707545-A OPTICAL APPARATUS FOR ELCTRONICS HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
US-5360576-A Chiral alkenylaryl 2,3-epoxyalkyl ethers, and the use thereof in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US 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