Benzoic Acid

Benzoic Acid

SCHEMBL7547480

C=C.CNC.O=C(O)c1ccccc1

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 3/20 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
TP53 P04637 1/20 0.52
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
AKR1C3 P42330 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX15 P16050 2/20 0.48
MAPK1 P28482 2/20 0.48
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

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 SCHEMBL65296 0.95 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL2330040 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28346663 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL434647 0.89 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL29182064 0.89 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28917082 0.89 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL1522973 0.89 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28791118 0.89 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL20574965 0.89 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL10490725 0.89 TSHR (0.88) 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