4-Methylbenzoic Acid

4-Methylbenzoic Acid

SCHEMBL8025639

COc1ccc(CCN)cc1.Cc1ccc(C(=O)O)cc1.O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
MAOB P27338 4/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR4A2 P43354 1/20 0.39
SRD5A2 P31213 2/20 0.39
SUV39H1 O43463 1/20 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
Benzoic Acid SCHEMBL8035799 0.92 TAAR1 (0.44) TAAR1MAOBNPC1POLBRAB9A
4-Methylbenzoic Acid SCHEMBL7802556 0.90 SRD5A2 (0.46) NR4A2SRD5A2
SCHEMBL8035858 0.90 MAOB (0.46) TAAR1MAOBNPC1RAB9ATDP1
4-Methylbenzoic Acid SCHEMBL8035699 0.90 MAOB (0.43) MAOBPOLBSMN1; SMN2CYP1A1CYP1B1
4-Methylbenzoic Acid SCHEMBL7792499 0.89 TAAR1 (0.47) TAAR1MAOBTDP1ALDH1A1KDM4E
4-Methylbenzoic Acid SCHEMBL7798106 0.89 SRD5A2 (0.41) TAAR1SMN1; SMN2L3MBTL1CYP1A1CYP1B1
4-Methylbenzoic Acid SCHEMBL7792063 0.89 RXRA (0.42) TAAR1NPC1RAB9ASMN1; SMN2MAPT
4-Methylbenzoic Acid SCHEMBL7798453 0.88 KDM4E (0.46) TAAR1NPC1RAB9ASMN1; SMN2MAPT
4-Methylbenzoic Acid SCHEMBL7792518 0.88 SCN5A (0.40) TAAR1NPC1POLBRAB9AMAPK1
SCHEMBL7801502 0.87 TAAR1 (0.55) TAAR1MAOBNPC1RAB9ATDP1

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