SCHEMBL9004893

SCHEMBL9004893

O=C(Oc1ncc[nH]1)c1ncc[nH]1.OC1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2B P41595 1/20 0.30

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
SCHEMBL727155 0.90 NPC1 (0.43) NPC1RAB9AKMT2AGLAHTT
SCHEMBL9005008 0.80 NPC1 (0.37) NPC1RAB9AKMT2AHTTSMN1; SMN2
Triethylene Glycol SCHEMBL9004823 0.78 NPC1 (0.35) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL31229951 0.75 NPC1 (0.47) NPC1RAB9AKMT2AGLAHTT
SCHEMBL5317101 0.72
SCHEMBL7766524 0.72 ALDH1A1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL384128 0.72 ALDH1A1 (0.37) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL2421717 0.71 MMP9 (0.43) NPC1RAB9AKMT2AALDH1A1
SCHEMBL179869 0.71 NPC1 (0.44) NPC1RAB9AKMT2AGLAHTT
SCHEMBL667770 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588853-B1 POLYCARBONATES AND THE USE THEREOF FOR THE PREPARATION OF BIOEROSIBLE MATRICES MEDIOLANUM FARMACEUTICI SRL (IT) 1996-09-18 EP disclosed
US-5463012-A Polycarbonates and the use thereof for the preparation of bioerosible matrices MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-10-31 US disclosed
EP-0588853-A1 POLYCARBONATES AND THE USE THEREOF FOR THE PREPARATION OF BIOEROSIBLE MATRICES. MEDIOLANUM FARMACEUTICI SRL (IT) 1994-03-30 EP disclosed
WO-1992022600-A1 POLYCARBONATES AND THE USE THEREOF FOR THE PREPARATION OF BIOEROSIBLE MATRICES MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1992-12-23 WO disclosed