SCHEMBL28035959

SCHEMBL28035959

CC(CC(C)c1ccccc1C(=O)O)c1ccccc1C(=O)O.Clc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NOTUM Q6P988 1/20 0.41
ACLY P53396 1/20 0.41
DCLRE1B Q9H816 1/20 0.40
HSP90AA1 P07900 1/20 0.40
APEX1 P27695 1/20 0.40
MCL1 Q07820 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MAPK1 P28482 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
TSHR P16473 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
Chlorobenzene SCHEMBL28035530 0.92 NR4A1 (0.45) ALDH1A1HPGDKDM4ERAB9ANPC1
M-Xylene SCHEMBL28035950 0.83 POLB (0.50) ALDH1A1HPGDKDM4ERAB9ANPC1
Isopropylbenzene SCHEMBL28035524 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9ANPC1NOTUM
SCHEMBL28604011 0.80 ACP3 (0.46) ALDH1A1HPGDKDM4ERAB9ANPC1
Tert-Butylbenzene SCHEMBL28278111 0.77 HCAR2 (0.42) ALDH1A1RAB9ANOTUMGAAKMT2A
Isobutylbenzene SCHEMBL28035953 0.77 DHODH (0.45) ALDH1A1RAB9ANPC1GAAKMT2A
SCHEMBL27808158 0.76 ALDH1A1 (0.46) ALDH1A1NOTUMACLYGAAKMT2A
SCHEMBL28035522 0.76 POLB (0.43) HPGDRAB9ANPC1MCL1KMT2A
SCHEMBL5230221 0.75 ACE2 (0.50) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL1904536 0.75 TSHR (0.57) ALDH1A1HPGDKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085726-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2017-11-07 CN claimed
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-107868152-A A kind of catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2018-04-03 CN disclosed
CN-107868153-A A kind of catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2018-04-03 CN disclosed
CN-105085726-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2017-11-07 CN disclosed
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed