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Benzoic Acid

Benzoic Acid

SCHEMBL28025657

C=C(C)C(=O)OCCOc1ccc(O)c2ccccc12.O=C(O)c1ccccc1

nearest known ligand 0.49

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
▸ POLB P06746 2/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL10064078 0.93 IDO1 (0.55) POLBAPEX1HTTTDP1IDO1
SCHEMBL10040400 0.85 IDO1 (0.44) POLBAPEX1HTTTDP1IDO1
SCHEMBL15347409 0.81 HPGDS (0.44) POLBAPEX1HTTTDP1IDO1
SCHEMBL10871016 0.80 THRB (0.46) POLBAPEX1HTTTDP1NPSR1
SCHEMBL14001882 0.80 THRB (0.41) POLBAPEX1HTTTDP1IDO1
SCHEMBL4580084 0.76 GAA (0.58) POLBAPEX1HTTTDP1NPSR1
Naphthalene SCHEMBL30556079 0.76 HTT (0.73) POLBAPEX1HTTTDP1USP2
Naphthalene SCHEMBL29061534 0.76 HTT (0.73) POLBAPEX1HTTTDP1USP2
SCHEMBL10580556 0.76 THRB (0.50) POLBAPEX1HTTTDP1KMT2A
SCHEMBL2033775 0.76 KDM4E (0.58) TDP1MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382471-A Polymerizable compound, polymerizable liquid crystal mixture, macromolecule, optical film, optically anisotropic body, polarizing film, display device, antireflection film and compound 日本瑞翁株式会社 2019-10-25 — — CN disclosed
CN-110003008-A Mixture and compound 日本瑞翁株式会社 2019-07-12 — — CN disclosed
CN-107400100-B Polymerizable compound, mixture, composition, polymer, film, optically anisotropic body, polarizing plate, and display device 日本瑞翁株式会社 2019-03-29 — — CN disclosed
CN-105960392-A Polymerizable compound, polymerizable composition, polymer, and optical isomer 日本瑞翁株式会社 2016-09-21 — — CN disclosed
CN-105940017-A Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body 日本瑞翁株式会社 2016-09-14 — — CN disclosed
CN-105745233-A Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body 日本瑞翁株式会社 2016-07-06 — — CN disclosed
CN-105452311-A Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body ZEON CORP 2016-03-30 — — CN disclosed
CN-104995219-A Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body ZEON CORP 2015-10-21 — — CN disclosed
CN-103459438-B Polymerizability compound, polymerizability composition, polymer and optically anisotropic body ZEON CORP. (JP) 2015-09-23 — — CN disclosed