Benzoic Acid

Benzoic Acid

SCHEMBL570916

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

nearest known ligand 0.50

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 0.50
TSHR P16473 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPK1 P28482 2/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SRD5A2 P31213 1/20 0.44
RARB P10826 1/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 SCHEMBL247596 0.89 TSHR (0.64) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL28740642 0.87 TSHR (0.52) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL14955492 0.85 TSHR (0.54) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL561340 0.84 TSHR (0.52) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL11508647 0.83 TSHR (0.56) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL28596822 0.83 TSHR (0.56) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL2020361 0.83 TSHR (0.56) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL18918947 0.83 TSHR (0.56) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL27545785 0.82 TSHR (0.50) DAOTSHRNAPRTMAPK1CES2
Benzoic Acid SCHEMBL28673610 0.81 TSHR (0.54) DAOTSHRNAPRTMAPK1CES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601224-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2018-09-19 EP disclosed
EP-2601224-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2013-06-12 EP disclosed
US-20130131290-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia, s.r.l. (IT) 2013-05-23 US disclosed
WO-2012017040-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-02-09 WO disclosed