4-Methylbenzoic Acid

4-Methylbenzoic Acid

SCHEMBL8035699

CCOc1ccc(CCN)cc1.Cc1ccc(C(=O)O)cc1.O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NR4A2 P43354 2/20 0.42
PLA2G4B P0C869 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
POLB P06746 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
SRD5A2 P31213 1/20 0.37

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 SCHEMBL7792805 0.92 PPARA (0.43) MAOBCYP1A1CYP1B1KMT2APPARG
SCHEMBL8037475 0.91 RXRA (0.44) MAOBCYP1A1CYP1B1PPARGPPARD
SCHEMBL7802496 0.91 RXRA (0.46) MAOBCYP1A1CYP1B1PPARGPPARD
4-Methylbenzoic Acid SCHEMBL8025639 0.90 TAAR1 (0.42) MAOBCYP1A1CYP1B1NR4A2RXRA
4-Methylbenzoic Acid SCHEMBL7802556 0.89 SRD5A2 (0.46) KMT2ANR4A2SRD5A2
SCHEMBL7801557 0.88 MAOB (0.51) MAOBCYP1A1CYP1B1PPARGPPARD
4-Methylbenzoic Acid SCHEMBL7798106 0.87 SRD5A2 (0.41) CYP1A1CYP1B1KMT2ANR4A2RXRA
4-Methylbenzoic Acid SCHEMBL7792063 0.87 RXRA (0.42) CYP1A1CYP1B1KMT2ANR4A2RXRA
4-Methylbenzoic Acid SCHEMBL7792518 0.86 SCN5A (0.40) KMT2ARXRARXRBRXRGPOLB
Benzoic Acid SCHEMBL7798463 0.85 MAOB (0.49) MAOBCYP1A1CYP1B1KMT2APPARA

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