Benzoic Acid

Benzoic Acid

SCHEMBL28709202

CCCCC(C)(O)CC(C)O.O=C(O)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.40

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 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
DAO P14920 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
PLA2G4B P0C869 2/20 0.38
RARB P10826 2/20 0.38
PRSS1 P07477 2/20 0.38
CTSG P08311 2/20 0.38
CTRB1 P17538 2/20 0.38
CMA1 P23946 2/20 0.38
NAAA Q02083 1/20 0.37
TP53 P04637 1/20 0.37

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 SCHEMBL28691998 0.91 TSHR (0.42) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL28021771 0.81 KIF11 (0.43) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL16113280 0.81 TSHR (0.44) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1073270 0.81 TSHR (0.44) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL28703476 0.80 TSHR (0.50) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL4577209 0.80 TSHR (0.50) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL28284016 0.80 TSHR (0.50) TSHRDAONAPRTCES2CES1
SCHEMBL8368013 0.79 TSHR (0.33) TSHR
Benzoic Acid SCHEMBL1070900 0.79 TSHR (0.38) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL28701822 0.79 DAO (0.48) TSHRDAONAPRTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN claimed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN claimed
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN disclosed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN disclosed