Benzoic Acid

Benzoic Acid

SCHEMBL7547475

O=C(O)c1ccccc1.[CH2]CN(C)C

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
DAO P14920 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
EGFR P00533 2/20 0.53
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
SRD5A2 P31213 1/20 0.52
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 1/20 0.47
TP53 P04637 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 2/20 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 SCHEMBL689795 0.84 TSHR (0.64) TSHRDAONAPRTEGFRCES1
Benzoic Acid SCHEMBL1110868 0.84 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28271515 0.81 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL27874108 0.81 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL27469592 0.81 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28173856 0.81 TSHR (0.82) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28555000 0.81 TSHR (0.58) TSHRDAONAPRTEGFRCES1
Benzoic Acid SCHEMBL15968418 0.80 TSHR (0.64) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL27469373 0.79 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL1980338 0.79 TSHR (0.70) 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-20160278216-A1 CURABLE INK AND A METHOD FOR PRINTING AND CURING THE CURABLE INK CAMTEK LTD. (IL) 2016-09-22 US disclosed
US-20140055544-A1 CURABLE INK AND A METHOD FOR PRINTING AND CURING THE CURABLE INK CAMTEK LTD. (IL) 2014-02-27 US disclosed
WO-2002046323-A2 UV CURABLE INK-JET LEGEND INK FOR PRINTING ON PRINTED CIRCUIT BOARDS PRINTAR LTD. (IL) 2002-06-13 WO disclosed