Benzoic Acid

Benzoic Acid

SCHEMBL28601772

CCC.CCC.O=C(O)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.78
DAO P14920 1/20 0.78
NAPRT Q6XQN6 1/20 0.78
CES1 P23141 8/20 0.64
CES2 O00748 7/20 0.64
SRD5A2 P31213 2/20 0.64
ALDH1A1 P00352 3/20 0.58
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50

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
Benzoic Acid SCHEMBL2400344 1.00 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL9705228 1.00 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28693411 1.00 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28646593 0.97 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL871104 0.97 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL2762272 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28761872 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL29286711 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL578126 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL30648522 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114426599-A Catalyst component for preparing polyolefin, preparation method thereof, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2022-05-03 CN claimed
CN-113754803-A Catalyst system and application thereof as catalyst for olefin polymerization 中国石油化工股份有限公司 2021-12-07 CN claimed
CN-113754801-A Solid catalyst for preparing olefin polymer and solid catalyst system 中国石油化工股份有限公司 2021-12-07 CN claimed
CN-110938161-B Catalyst system for olefin polymerization and prepolymerized catalyst composition and use thereof 中国石油化工股份有限公司 2022-05-24 CN disclosed
CN-114456290-A Catalyst system for olefin polymerization and prepolymerized catalyst composition 中国石油化工股份有限公司 2022-05-10 CN disclosed
CN-114456286-A Catalyst system for olefin polymerization and use thereof 中国石油化工股份有限公司 2022-05-10 CN disclosed
CN-114426599-A Catalyst component for preparing polyolefin, preparation method thereof, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-113754803-A Catalyst system and application thereof as catalyst for olefin polymerization 中国石油化工股份有限公司 2021-12-07 CN disclosed
CN-113754802-A Catalyst system for olefin polymerization reaction and prepolymerization catalyst composition 中国石油化工股份有限公司 2021-12-07 CN disclosed
CN-113754801-A Solid catalyst for preparing olefin polymer and solid catalyst system 中国石油化工股份有限公司 2021-12-07 CN disclosed
CN-109678997-B Catalyst component and catalyst for olefin polymerization, prepolymerized catalyst and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-111234062-B Catalyst system for olefin polymerization and use thereof 中国石油化工股份有限公司 2021-08-03 CN disclosed
CN-111234068-B Catalyst system for olefin polymerization and use thereof 中国石油化工股份有限公司 2021-08-03 CN disclosed