SCHEMBL5082697

SCHEMBL5082697

CC(O)C(C)O.O=C(O)c1cccc(Cl)c1.O=C(O)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PARP1 P09874 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
SLC6A2 P23975 5/20 0.51
SLC6A3 Q01959 4/20 0.51
CHRNA1 P02708 2/20 0.51
CHRNG P07510 2/20 0.51
CHRNB1 P11230 2/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNB4 P30926 2/20 0.51
SLC6A4 P31645 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA4 P43681 2/20 0.51
CHRND Q07001 2/20 0.51
ITGA5 P08648 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL10791959 0.90 PARP1 (0.63) NPC1RAB9APARP1ERCC5FEN1
Methyl Alcohol SCHEMBL28780504 0.88 PARP1 (0.61) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL28134936 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL29360692 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL38766 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
Benzene SCHEMBL28107074 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL16865710 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
Propylene Glycol SCHEMBL5079139 0.88 NPC1 (0.50) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL1072033 0.88 NPC1 (0.54) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL4579326 0.88 NPC1 (0.54) NPC1RAB9APARP1ERCC5FEN1

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-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed