Benzoic Acid

Benzoic Acid

SCHEMBL3480969

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

nearest known ligand 0.42

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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
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
LMNA P02545 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
KMT2A Q03164 2/20 0.38
SRD5A2 P31213 1/20 0.38
MAPT P10636 1/20 0.38
AKT1 P31749 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Isophthalic Acid SCHEMBL1134106 0.91 KMT2A (0.46) LMNATAS1R3TAS1R1KMT2AALDH1A1
SCHEMBL36630 0.78
Benzoic Acid SCHEMBL2013041 0.77 TSHR (0.56) DAOTSHRNAPRTLMNASLC6A2
Benzoic Acid SCHEMBL30822815 0.77 TSHR (0.56) DAOTSHRNAPRTLMNASLC6A2
Benzoic Acid SCHEMBL17391496 0.77 TSHR (0.56) DAOTSHRNAPRTLMNASLC6A2
Benzoic Acid SCHEMBL17595203 0.75 DAO (0.54) DAOTSHRNAPRTLMNASLC6A2
SCHEMBL1638386 0.75 LMNA (0.45) TSHRLMNASLC6A2SLC6A3PRSS1
Benzoic Acid SCHEMBL28536270 0.74 DAO (0.52) DAOTSHRNAPRTLMNASLC6A2
Benzoic Acid SCHEMBL5432914 0.74 TSHR (0.52) DAOTSHRNAPRTLMNASLC6A2
Benzoic Acid SCHEMBL569362 0.74 TSHR (0.52) DAOTSHRNAPRTLMNASLC6A2

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-20130213468-A1 COATING COMPOSITION FOR PROTECTION COVER OF SOLAR CELL DAIKIN INDUSTRIES, LTD. (JP) 2013-08-22 US disclosed
US-20100180938-A1 COATING COMPOSITION FOR PROTECTION COVER OF SOLAR CELL DAIKIN INDUSTRIES, LTD. (JP) 2010-07-22 US disclosed
EP-1956657-A1 COATING COMPOSITION FOR SOLAR CELL PROTECTIVE COVERS Daikin Industries, Ltd. (JP) 2008-08-13 EP disclosed