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Benzoic Acid

Benzoic Acid

SCHEMBL29092242

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

nearest known ligand 0.32

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 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CTRB1 P17538 1/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NAPRT Q6XQN6 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPSR1 Q6W5P4 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
Benzoic Acid SCHEMBL1783578 0.91 DAO (0.39) PRSS1CTSGCTRB1CMA1ALDH1A1
Benzoic Acid SCHEMBL1785118 0.88 DAO (0.39) PRSS1CTSGCTRB1CMA1ALDH1A1
Benzoic Acid SCHEMBL1070692 0.85 DAO (0.41) ALDH1A1RAB9ADAOTSHRNAPRT
Benzoic Acid SCHEMBL27522276 0.85 DAO (0.41) ALDH1A1RAB9ADAOTSHRNAPRT
Benzoic Acid SCHEMBL1070315 0.85 DAO (0.44) PRSS1CTSGCTRB1CMA1ALDH1A1
Benzoic Acid SCHEMBL27573805 0.83 PRSS1 (0.31) PRSS1CTSGCTRB1CMA1ALDH1A1
Benzoic Acid SCHEMBL1784165 0.79 DAO (0.38) PRSS1CTSGCTRB1CMA1ALDH1A1
Benzoic Acid SCHEMBL1786431 0.78 DAO (0.39) PRSS1CTSGCTRB1CMA1ALDH1A1
Benzoic Acid SCHEMBL1072577 0.78 DAO (0.41) ALDH1A1RAB9ADAOTSHRNAPRT
Benzoic Acid SCHEMBL1786441 0.77 DAO (0.44) PRSS1CTSGCTRB1CMA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478846-B Carrier of catalyst with olefin polymerization catalyzing function, preparation method and application thereof, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2023-09-08 — — CN claimed
CN-114478846-B Carrier of catalyst with olefin polymerization catalyzing function, preparation method and application thereof, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2023-09-08 — — CN disclosed