SCHEMBL6232010

SCHEMBL6232010

CCOC(=O)C(C)(C)CC(=S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIN1 Q13526 1/20 0.46
MMP8 P22894 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RECQL P46063 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL12121920 0.85 POLB (0.66) POLBNPSR1PIN1MMP8ALDH1A1
SCHEMBL5885245 0.81 ALDH1A1 (0.50) POLBNPSR1PIN1MMP8ALDH1A1
SCHEMBL21768348 0.75 TDP1 (0.58) POLBNPSR1PIN1NPC1MEN1
SCHEMBL18113289 0.74 POLB (0.46) POLBNPSR1PIN1MMP8ALDH1A1
SCHEMBL164403 0.74 POLB (0.49) POLBNPSR1PIN1MMP8ALDH1A1
SCHEMBL8697207 0.73 SMN1; SMN2 (0.49) POLBALDH1A1MAPTNPC1MEN1
SCHEMBL9437333 0.73 MEN1 (0.51) POLBNPSR1PIN1MMP8ALDH1A1
SCHEMBL1492859 0.73 MMP8 (0.65) POLBNPSR1PIN1MMP8ALDH1A1
SCHEMBL4621876 0.73 PIN1 (0.51) POLBNPSR1PIN1MMP8ALDH1A1
SCHEMBL6932564 0.72 POLB (0.54) POLBNPSR1PIN1MMP8ALDH1A1

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-1525177-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF Genfit (FR) 2005-04-27 EP disclosed
WO-2004005233-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF GENFIT (FR) 2004-01-15 WO disclosed