Benzoic Acid

Benzoic Acid

SCHEMBL6007199

O=C(O)c1ccccc1.[Na]CBr

nearest known ligand 0.70

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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 0.70
DAO P14920 1/20 0.70
NAPRT Q6XQN6 1/20 0.70
CES1 P23141 5/20 0.58
CES2 O00748 4/20 0.58
SRD5A2 P31213 2/20 0.58
PTPN1 P18031 1/20 0.56
GSK3B P49841 1/20 0.56
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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 SCHEMBL27540353 0.87 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL27807828 0.85 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL3173847 0.85 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL27392136 0.85 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28377937 0.85 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL3966600 0.84 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL407365 0.84 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL149318 0.84 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL975929 0.84 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL2458489 0.84 TSHR (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116376055-A Photonic crystal gel with visual detection function and preparation method and application thereof 武汉理工大学 2023-07-04 CN claimed
CN-116376055-A Photonic crystal gel with visual detection function and preparation method and application thereof 武汉理工大学 2023-07-04 CN disclosed
CN-116376055-A Photonic crystal gel with visual detection function and preparation method and application thereof 武汉理工大学 2023-07-04 CN disclosed
EP-1386935-B1 Dual stimuli-responsive hydrogels and their synthetic methods KOREA INST SCI & TECH (KR) 2006-01-25 EP disclosed
US-6784266-B2 BLOCK POLYMERS HAVING BOTH THERMO- AND PH- RESPONSIVE PROPERTIES NECESSARY FOR DRUG DELIVERY SYSTEMS; COPOLYMERS BASED ON A SULFONAMIDE DERIVATIVE OF STYRENE (PH) AND N-ISOPROPYLACRYLAMIDE (HEAT); SULFA DRUGS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-08-31 US disclosed
US-20040024096-A1 Dual stimuli-responsive hydrogels and their synthetic methods KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-02-05 US disclosed
EP-1386935-A1 Dual stimuli-responsive hydrogels and their synthetic methods Korea Institute of Science and Technology (KR) 2004-02-04 EP disclosed