SCHEMBL21264005

SCHEMBL21264005

CCOC(=O)[C@@H](CC(C)C)C(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.51
ACE P12821 3/20 0.50
TRPA1 O75762 2/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL14753735 0.89 MMP8 (0.52) MMP8ACEHSD17B10LMNAL3MBTL1
SCHEMBL21264079 0.82 ACE (0.65) ACETRPA1
SCHEMBL892960 0.82 MMP8 (0.61) MMP8HSD17B10LMNAL3MBTL1MAPT
SCHEMBL8345051 0.81 HSD17B10 (0.56) MMP8HSD17B10LMNAL3MBTL1EPHX2
SCHEMBL14874554 0.81 HSD17B10 (0.56) MMP8HSD17B10LMNAL3MBTL1EPHX2
SCHEMBL10429976 0.81 MMP8 (0.56) MMP8ACETRPA1HSD17B10LMNA
SCHEMBL27968398 0.81 SMN1; SMN2 (0.53) MMP8ACEHSD17B10LMNAL3MBTL1
SCHEMBL21264080 0.80 ACE (0.50) ACETRPA1
SCHEMBL5085947 0.80 MMP8 (0.55) MMP8ACETRPA1HSD17B10LMNA
SCHEMBL14874590 0.79 MMP8 (0.43) MMP8ACEHSD17B10LMNAL3MBTL1

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
WO-2019154663-A1 NEW PYRIDINE CARBOXAMIDES BASF SE (DE) 2019-08-15 WO disclosed