3-Formylbenzoic Acid

3-Formylbenzoic Acid

SCHEMBL8035774

NC1CCCCC1.NC[C@H](N)C(=O)O.O=Cc1cccc(C(=O)O)c1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UNG P13051 2/20 0.54
KMO O15229 1/20 0.42
SRD5A1 P18405 1/20 0.42
STS P08842 3/20 0.41
EPHX1 P07099 1/20 0.41
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CASR P41180 1/20 0.39
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
GRM4 Q14833 1/20 0.37
ANPEP P15144 1/20 0.36
ENPEP Q07075 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
3-Formylbenzoic Acid SCHEMBL8035782 1.00 UNG (0.54) UNGKMOSRD5A1STSEPHX1
3-Formylbenzoic Acid SCHEMBL7798025 0.89 UNG (0.68) UNGKMOSRD5A1STSEPHX1
3-Formylbenzoic Acid SCHEMBL8039145 0.88 UNG (0.48) UNGKMOSRD5A1STSEPHX1
3-Formylbenzoic Acid SCHEMBL8039147 0.88 UNG (0.48) UNGKMOSRD5A1STSEPHX1
3-Formylbenzoic Acid SCHEMBL7800848 0.88 UNG (0.59) UNGKMOSRD5A1STSEPHX1
Benzaldehyde SCHEMBL8035694 0.88 KIF11 (0.42)
3-Hydroxybenzaldehyde SCHEMBL8039109 0.87 KYNU (0.40) UNGSTS
3-Hydroxybenzaldehyde SCHEMBL8039117 0.87 KYNU (0.40) UNGSTS
Cyclohexylamine SCHEMBL8037416 0.87 ALDH1A1 (0.47) UNGSTSEPHX1TRIM24TRIM33
Cyclohexylamine SCHEMBL8037421 0.87 ALDH1A1 (0.47) UNGSTSEPHX1TRIM24TRIM33

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
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed