Benzoic Acid

Benzoic Acid

SCHEMBL28797334

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

nearest known ligand 0.44

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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
DAO P14920 1/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
RAB9A P51151 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.39
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
SRD5A2 P31213 1/20 0.39
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 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 SCHEMBL29092335 0.91 DAO (0.41) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL569362 0.89 TSHR (0.52) DAOTSHRNAPRTRAB9ASLC6A2
Benzoic Acid SCHEMBL561248 0.87 DAO (0.47) DAOTSHRNAPRTRAB9ACES2
Benzoic Acid SCHEMBL560823 0.87 DAO (0.47) DAOTSHRNAPRTRAB9ASLC6A2
Benzoic Acid SCHEMBL15136032 0.87 DAO (0.47) DAOTSHRNAPRTRAB9ASLC6A2
Benzoic Acid SCHEMBL30822815 0.85 TSHR (0.56) DAOTSHRNAPRTRAB9ASLC6A2
Benzoic Acid SCHEMBL28686046 0.85 TSHR (0.56) DAOTSHRNAPRTRAB9ACES2
Benzoic Acid SCHEMBL571245 0.85 TSHR (0.56) DAOTSHRNAPRTRAB9ACES2
Benzoic Acid SCHEMBL28366021 0.84 DAO (0.44) DAOTSHRNAPRTRAB9ASLC6A2
Benzoic Acid SCHEMBL27851821 0.84 DAO (0.44) DAOTSHRNAPRTRAB9ASLC6A2

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-102453185-A Preparation method of propylene-ethylene random copolymer CHINA PETROLEUM & CHEMICAL 2012-05-16 CN disclosed
CN-102453186-A Preparation method of propylene-ethylene random copolymer CHINA PETROLEUM & CHEMICAL 2012-05-16 CN disclosed