SCHEMBL12199840

SCHEMBL12199840

COc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 3/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 2/20 0.32
ALOX5 P09917 1/20 0.32
DHODH Q02127 1/20 0.32
AMY1A P0DUB6 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL31419499 0.86 NPC1 (0.43) CA1CA2NPC1RAB9AMAPT
SCHEMBL28547709 0.86 CA1 (0.54) CA1CA2NPC1RAB9AMAPT
SCHEMBL28823002 0.85 CA1 (0.48) CA1CA2NPC1RAB9AMAPT
SCHEMBL21586951 0.84 PDE2A (0.35) NPC1RAB9AMAPTNR1H4MEN1
SCHEMBL30887157 0.84 PDE2A (0.36) CA1CA2NPC1RAB9AMAPT
SCHEMBL21586947 0.84 PDE2A (0.36) CA1CA2NPC1RAB9AMAPT
Bumetrizole SCHEMBL23734 0.84 NPC1 (0.53) CA2NPC1RAB9AMAPTMEN1
Bumetrizole SCHEMBL8056551 0.84 NPC1 (0.53) CA2NPC1RAB9AMAPTMEN1
Bumetrizole SCHEMBL8603228 0.84 NPC1 (0.53) CA2NPC1RAB9AMAPTMEN1
Bumetrizole SCHEMBL8054070 0.84 NPC1 (0.53) CA2NPC1RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105924589-A Anti-ultraviolet, heat-insulating and radiation-proof PET membrane and preparation method thereof 周开雄 2016-09-07 CN disclosed
US-8034878-B2 Low molecular weight ethylene interpolymers, methods of making, and uses thereof DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-11 US disclosed
US-20080306217-A1 Low Molecular Weight Ethylene Interpolymers, Methods of Making, and Uses Thereof DOW GLOBAL TECHNOLOGIES LLC 2008-12-11 US disclosed
US-7259219-B2 Low molecular weight copolymer of ethylene and vinyl aromatic monomer and uses thereof DOW GLOBAL TECHNOLOGIES INC. (US) 2007-08-21 US disclosed
US-7259219-B2 Low molecular weight copolymer of ethylene and vinyl aromatic monomer and uses thereof DOW GLOBAL TECHNOLOGIES INC. (US) 2007-08-21 US disclosed
WO-2007078697-A1 LOW MOLECULAR WEIGHT ETHYLENE INTERPOLYMERS, METHODS OF MAKING, AND USES THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2007-07-12 WO disclosed