SCHEMBL28040600

SCHEMBL28040600

CC(O)c1cc[c]cc1.[MgH2]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
UGT2B7 P16662 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PGR P06401 1/20 0.35
PTPN5 P54829 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
LMNA P02545 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL426212 0.97
SCHEMBL9697406 0.97
SCHEMBL27482736 0.95
SCHEMBL3762114 0.82 ESR1 (0.33)
SCHEMBL11539994 0.82 KDM4E (0.38) ALDH1A1MEN1KMT2AADRA2AADRA2C
SCHEMBL5570701 0.78 KDM4E (0.35) ALDH1A1KMT2AADRA2AADRA2CLMNA
SCHEMBL27374847 0.78 TYR (0.39) LMNAHIF1AKDM4E
SCHEMBL316819 0.77 KDM4E (0.38) ALDH1A1MEN1KMT2AADRA2AADRA2C
SCHEMBL9331190 0.76 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PGR
SCHEMBL9331652 0.76 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PGR

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-105209268-B Heterocyclic imine functionalized polymers 株式会社普利司通 2018-05-04 CN disclosed
CN-107567464-A For the method for the polydiene and polydiene copolymer that produce cold flow properties reduction 株式会社普利司通 2018-01-09 CN disclosed
CN-107428867-A Aged lanthanide-based catalyst systems and their use in the preparation of cis-1, 4-polydienes 株式会社普利司通 2017-12-01 CN disclosed
CN-107428871-A Cis-1, 4-polydienes having improved cold flow resistance 株式会社普利司通 2017-12-01 CN disclosed
CN-107207654-A The polymerisation in bulk of polyisoprene with preform catalyst 株式会社普利司通 2017-09-26 CN disclosed
CN-105814087-B Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2017-07-11 CN disclosed
CN-105814087-A Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2016-07-27 CN disclosed
CN-105814132-A Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2016-07-27 CN disclosed
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed