Benzoic Acid

Benzoic Acid

SCHEMBL8549809

Cc1oc2ccc(N(C(N)=O)c3cccc(-c4ccccc4)c3)cc2c1CCN(C)Cc1cc(N(C)C)cnn1.O=C(O)c1ccccc1

nearest known ligand 0.31

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 1)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.31

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 SCHEMBL8548262 0.95
Benzoic Acid SCHEMBL7141730 0.87 HTR1F (0.34) FYN
Benzoic Acid SCHEMBL8551806 0.86 MEN1 (0.31) FYN
Benzoic Acid SCHEMBL8552961 0.81 MEN1 (0.30)
Benzoic Acid SCHEMBL8549272 0.79 NPC1 (0.35)
Benzoic Acid SCHEMBL8695202 0.74 MEN1 (0.31)
Benzoic Acid SCHEMBL8435537 0.71 PDPK1 (0.33)
Benzoic Acid SCHEMBL8436196 0.70 PDPK1 (0.33)
Benzoic Acid SCHEMBL8709658 0.69 TMEM97 (0.33)
Benzoic Acid SCHEMBL8548987 0.64 NPC1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed