Metacresol

Metacresol

SCHEMBL6989813

CCOC(=O)C(C)Oc1cccc(C)c1.Cc1cccc(O)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
ACHE P22303 1/20 0.49
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 4/20 0.44
ALDH2 P05091 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5209949 0.93 L3MBTL1 (0.55) L3MBTL1LMNAACHEMAPK1TP53
SCHEMBL1454525 0.91 L3MBTL1 (0.57) L3MBTL1LMNAMAPK1TDP1KMT2A
SCHEMBL6989122 0.81 LMNA (0.48) L3MBTL1LMNAACHEMAPK1TDP1
SCHEMBL6995306 0.80 LMNA (0.47) L3MBTL1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9572368 0.79 CYP3A4 (0.46) L3MBTL1LMNAMAPK1TDP1KMT2A
SCHEMBL5207507 0.79 L3MBTL1 (0.59) L3MBTL1LMNAMAPK1TDP1KMT2A
SCHEMBL13557321 0.79 L3MBTL1 (0.54) L3MBTL1LMNAMAPK1TDP1KMT2A
SCHEMBL27403581 0.79 ALDH2 (0.54) L3MBTL1LMNAKMT2AALDH2ALDH1A1
SCHEMBL14121604 0.79 TP53 (0.52) LMNAACHEMAPK1TP53KMT2A
SCHEMBL14122295 0.79 TP53 (0.52) LMNAACHEMAPK1TP53KMT2A

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
EP-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed