SCHEMBL8718740

SCHEMBL8718740

CCCCOCCCCOc1ccc(-c2ncc(OC(CCC)[C@@H]3CO3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

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 0.43
RARB P10826 2/20 0.39
CYP2D6 P10635 9/20 0.38
CYP2C9 P11712 8/20 0.38
CYP2C19 P33261 8/20 0.38
CYP19A1 P11511 7/20 0.38
CYP1A2 P05177 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 6/20 0.38
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL8721859 0.83 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7872537 0.83 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7881326 0.80 NPC1 (0.34) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748428 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748583 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748946 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8749076 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748588 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8749087 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748643 0.76 NPC1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707545-A OPTICAL APPARATUS FOR ELCTRONICS HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed