Benzoic Acid

Benzoic Acid

SCHEMBL6049039

O=C(O)C1CC=CCC1C(=O)O.O=C(O)c1ccccc1

nearest known ligand 0.62

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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 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
TSHR P16473 3/20 0.58
DAO P14920 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
POLB P06746 5/20 0.58
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 1/20 0.50
SRD5A2 P31213 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3315890 0.86 POLB (0.56) TDP1TSHRPOLBGAASMN1; SMN2
Benzoic Acid SCHEMBL29045930 0.79 APEX1 (0.59) TSHRDAONAPRTGAAKMT2A
SCHEMBL10739512 0.79 POLB (0.54) TDP1TSHRPOLBGAASMN1; SMN2
SCHEMBL60588 0.79 POLB (0.54) TDP1TSHRPOLBGAASMN1; SMN2
SCHEMBL174303 0.79 POLB (0.54) TDP1TSHRPOLBGAASMN1; SMN2
SCHEMBL31737192 0.79 POLB (0.54) TDP1TSHRPOLBGAASMN1; SMN2
SCHEMBL10739509 0.79 POLB (0.54) TDP1TSHRPOLBGAASMN1; SMN2
Benzoic Acid SCHEMBL5142456 0.79 TSHR (0.93) TDP1TSHRDAONAPRTPOLB
SCHEMBL14433706 0.79 POLB (0.54) TDP1TSHRPOLBGAASMN1; SMN2
SCHEMBL445084 0.78 POLB (0.47) TDP1TSHRDAONAPRTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270696-B1 Adhesive sheet for dicing NITTO DENKO CORP (JP) 2006-03-29 EP disclosed