SCHEMBL574869

SCHEMBL574869

CCCCCCCCc1cc(C)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.43
PTGS2 P35354 4/20 0.42
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
HSPD1 P10809 1/20 0.39
ADRB3 P13945 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL14953136 1.00 NPC1 (0.46) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL30485790 1.00 NPC1 (0.46) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL14032738 0.99 NPC1 (0.47) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL28127188 0.95 NPC1 (0.48) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11088731 0.87 NPC1 (0.43) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL30573270 0.87 NPC1 (0.43) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL26657999 0.87 NPC1 (0.43) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL7577937 0.87 NPC1 (0.43) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL30968393 0.87 NPC1 (0.43) NPC1RAB9ALMNAPTGS2POLB
SCHEMBL26658077 0.87 NPC1 (0.43) NPC1RAB9ALMNAPTGS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803368-B Color-stable, halogen-free flame retardant compositions DOW GLOBAL TECHNOLOGIES INC 2014-03-12 CN disclosed
EP-2601257-A1 STABILIZED PHOTOACTIVE COMPOSITION AND USE THEREOF ENI S.p.A. (IT) 2013-06-12 EP disclosed
CN-103080203-A Stabilized photoactive composition and use thereof ENI SPA 2013-05-01 CN disclosed
CN-102803368-A Color-stable, Halogen-free Flame Retardant Compositions DOW GLOBAL TECHNOLOGIES INC 2012-11-28 CN disclosed
CN-101198652-B Polycarbonate resin composition and molded article MITSUBISHI ENG PLASTICS CORP 2012-07-04 CN disclosed
WO-2012017046-A1 STABILIZED PHOTOACTIVE COMPOSITION AND USE THEREOF ENI S.P.A. (IT) 2012-02-09 WO disclosed
CN-101198652-A Polycarbonate resin composition and molded article MITSUBISHI ENG PLASTICS CORP (JP) 2008-06-11 CN disclosed
EP-0821709-A1 POLYKETONE POLYMER COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1998-02-04 EP disclosed
WO-1996033236-A1 POLYKETONE POLYMER COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1996-10-24 WO disclosed