Benzoic Acid

Benzoic Acid

SCHEMBL6934526

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

nearest known ligand 0.64

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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 0.64
DAO P14920 1/20 0.64
NAPRT Q6XQN6 1/20 0.64
CES1 P23141 5/20 0.54
CES2 O00748 4/20 0.54
SRD5A2 P31213 2/20 0.54
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PRSS1 P07477 1/20 0.44
CTSG P08311 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
Benzoic Acid SCHEMBL2032078 1.00 TSHR (0.64) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL1288216 0.89 TSHR (0.50) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11228092 0.87 TSHR (0.58) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL27397300 0.86 TSHR (0.64) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11126820 0.86 TSHR (0.64) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28693411 0.85 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28601772 0.85 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL7999427 0.85 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL9705228 0.85 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL2400344 0.85 TSHR (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6505942-B2 Anti-reflection material, polarization film, and production methods therefor TOMOEGAWA PAPER CO., LTD. (JP) 2003-01-14 US disclosed
US-20020034008-A1 Anti-reflection material, polarization film, and production methods therefor TOMOEGAWA PAPER CO., LTD. (JP) 2002-03-21 US disclosed
US-6191884-B1 COATING CONDUCTIVE MATERIALS INCLUDING INDIUM TIN OXIDE POWDER AND RESIN TOMOEGAWA PAPER CO., LTD. (JP) 2001-02-20 US disclosed