Benzoic Acid

Benzoic Acid

SCHEMBL28437397

CC(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl.O=C(O)c1ccccc1

nearest known ligand 0.43

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
TRPC1 P48995 1/20 0.37
TRPC3 Q13507 1/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
NOTUM Q6P988 4/20 0.37
XPA P23025 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
CTSB P07858 1/20 0.35
RORC P51449 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
NSD2 O96028 2/20 0.33
RECQL P46063 2/20 0.33
CTDSP1 Q9GZU7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL44446 0.92 ALDH1A1 (0.38) NOTUMTDP1CTSBALDH1A1POLB
SCHEMBL4897613 0.92 ALDH1A1 (0.38) NOTUMTDP1CTSBALDH1A1POLB
SCHEMBL6553961 0.87 LMNA (0.36) NOTUMTDP1CTSBALDH1A1POLB
Clopyralid SCHEMBL7586754 0.87 NOTUM (0.35) TRPC1TRPC3STIM1ORAI1NOTUM
SCHEMBL2961429 0.86 TDP1 (0.36) NOTUMTDP1CTSBALDH1A1POLB
SCHEMBL2964906 0.86 TDP1 (0.36) NOTUMTDP1CTSBALDH1A1POLB
SCHEMBL9350408 0.84 TDP1 (0.35) NOTUMTDP1CTSBALDH1A1POLB
SCHEMBL7953670 0.84 KMT2A (0.37) NOTUMTDP1CTSBRORCALDH1A1
SCHEMBL2968009 0.84 LMNA (0.36) NOTUMTDP1CTSBALDH1A1POLB
SCHEMBL2966447 0.84 LMNA (0.36) NOTUMTDP1CTSBALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874967-A Composition, polymer composite article formed therewith, and method of making the same 美国陶氏有机硅公司 2023-10-13 CN disclosed
CN-111433275-B Composition, polymer composite article formed therewith, and method of making the same 美国陶氏有机硅公司 2023-07-25 CN disclosed
CN-111630103-B Composition, polymer composite article formed therewith, and method of making same 美国陶氏有机硅公司 2022-10-28 CN disclosed
CN-111630103-A Composition, polymer composite article formed therewith, and method of making same 美国陶氏有机硅公司 2020-09-04 CN disclosed
CN-111433275-A Composition, polymer composite article formed therewith, and method of making same 美国陶氏有机硅公司 2020-07-17 CN disclosed