4-Methylbenzoic Acid Methyl Ester

4-Methylbenzoic Acid Methyl Ester

SCHEMBL7946632

COC(=O)c1ccc(C)cc1.Cc1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
RAB9A P51151 7/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TDP1 Q9NUW8 3/20 0.59
KMT2A Q03164 2/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
LMNA P02545 1/20 0.55
HPGD P15428 2/20 0.52
NPC1 O15118 3/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL21171359 0.89 MAPT (0.76) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6057244 0.89 TDP1 (0.69) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL31137861 0.89 TDP1 (0.69) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
Benzyl Benzoate SCHEMBL19206962 0.86 KMT2A (0.74) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL27337757 0.86 KMT2A (0.69) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6669062 0.85 RAB9A (0.75) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
Benzyl Benzoate SCHEMBL19206942 0.85 KMT2A (0.82) MAPTRAB9AALDH1A1TDP1KMT2A
SCHEMBL22388846 0.85 KMT2A (0.76) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6057219 0.85 KMT2A (0.76) MAPTRAB9AALDH1A1SMN1; SMN2TDP1
Benzyl Benzoate SCHEMBL19206952 0.85 TDP1 (0.82) MAPTRAB9AALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051528-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed