SCHEMBL2570877

SCHEMBL2570877

CC(=O)C(C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KIF11 P52732 7/20 0.41
CES1 P23141 1/20 0.39
KCNN4 O15554 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
SCHEMBL7288198 0.90 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL8410397 0.82 MAPT (0.52) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL15258811 0.82 KMT2A (0.46) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL7208176 0.79 KMT2A (0.47) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL11220533 0.78 CYP1A2 (0.45) CYP1A2CYP2D6MAPTKMT2ACYP2C19
Acetic Acid SCHEMBL19552669 0.78 MAPT (0.45) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL6363313 0.77 HDAC3 (0.50) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL8854204 0.77 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL7212419 0.77 PIN1 (0.46) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL21086711 0.76 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382205-B1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2382205-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-11-02 EP disclosed
WO-2010076524-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed