SCHEMBL6989122

SCHEMBL6989122

CC(C)(C)c1cccc(O)c1.CCOC(=O)C(C)Oc1cccc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.43
ALDH2 P05091 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GRM2 Q14416 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SOD1 P00441 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
IDH1 O75874 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
OPRM1 P35372 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
SCHEMBL5205507 0.93 L3MBTL1 (0.50) LMNAL3MBTL1KMT2AFFAR1ALDH2
SCHEMBL1454525 0.89 L3MBTL1 (0.57) LMNAL3MBTL1KMT2AALDH2CYP3A4
SCHEMBL6995306 0.89 LMNA (0.47) LMNAL3MBTL1KMT2AGRM2MEN1
SCHEMBL5207539 0.81 PPARG (0.51) LMNAL3MBTL1KMT2AALDH1A1GRM2
Metacresol SCHEMBL6989813 0.81 L3MBTL1 (0.52) LMNAL3MBTL1KMT2AALDH2CYP3A4
SCHEMBL9572368 0.78 CYP3A4 (0.46) LMNAL3MBTL1KMT2ACYP3A4ALDH1A1
SCHEMBL5271886 0.78 KMT2A (0.58) LMNAL3MBTL1KMT2AALDH2ALDH1A1
SCHEMBL4790092 0.78 KMT2A (0.58) LMNAL3MBTL1KMT2AALDH2ALDH1A1
SCHEMBL5275473 0.78 KMT2A (0.58) LMNAL3MBTL1KMT2AALDH2ALDH1A1
SCHEMBL5209949 0.76 L3MBTL1 (0.55) LMNAL3MBTL1KMT2AALDH1A1MEN1

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