Benzoic Acid

Benzoic Acid

SCHEMBL9894638

C=C(C)C(=O)O.O=C(O)c1ccccc1.OCCCC(CO)CO

nearest known ligand 0.41

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
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
SRD5A2 P31213 1/20 0.37
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 2/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.34

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 SCHEMBL28085429 1.00 DAO (0.41) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL28094912 0.91 DAO (0.44) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL505771 0.89 TSHR (0.52) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL235922 0.89 TSHR (0.52) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL11436196 0.89 TSHR (0.52) DAOTSHRNAPRTCES2CES1
Methacrylic Acid SCHEMBL1356993 0.84 TGFBR1 (0.37) LMNAALDH1A1
Methacrylic Acid SCHEMBL443710 0.84 TGFBR1 (0.37) LMNAALDH1A1
Methacrylic Acid SCHEMBL2223377 0.84 TGFBR1 (0.37) LMNAALDH1A1
Methacrylic Acid SCHEMBL20873324 0.84 TGFBR1 (0.37) LMNAALDH1A1
Methacrylic Acid SCHEMBL28225727 0.84 TGFBR1 (0.37) LMNAALDH1A1

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
US-8708475-B2 Ultraviolet crosslinking inkjet ink, ink cartridge containing same, and image forming method and apparatus using same RICOH COMPANY, LTD. (JP) 2014-04-29 US disclosed
US-20120147103-A1 ULTRAVIOLET CROSSLINKING INKJET INK, INK CARTRIDGE CONTAINING SAME, AND IMAGE FORMING METHOD AND APPARATUS USING SAME RICOH COMPANY, LTD. (JP) 2012-06-14 US disclosed