SCHEMBL3448335

SCHEMBL3448335

CC(C)(CO)COS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.42
PARL Q9H300 1/20 0.40
PSIP1 O75475 1/20 0.39
DGAT1 O75907 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 2/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B3 P37058 1/20 0.36

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
SCHEMBL3447252 0.89 PSIP1 (0.45) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL3448735 0.84 ALDH1A1 (0.46) ALDH1A1CYP2C19SMN1; SMN2MEN1CYP1A2
SCHEMBL3446801 0.84 PARL (0.41) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL3448669 0.84 PARL (0.41) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL1954965 0.84 PARL (0.41) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL5590961 0.83 PSIP1 (0.43) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL2057595 0.83 PSIP1 (0.43) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL477100 0.81 PSIP1 (0.40) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL3447228 0.81 PSIP1 (0.40) HSD11B1PARLPSIP1ALDH1A1POLB
SCHEMBL11081117 0.80 PARL (0.36) HSD11B1PARLPSIP1ALDH1A1POLB

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
US-7814626-B2 Process for the preparation of polycarbonate by the melt transesterification process BAYER MATERIALSCIENCE AG (DE) 2010-10-19 US disclosed
US-20090117314-A1 PROCESS FOR THE PREPARATION OF POLYCARBONATE BY THE MELT TRANSESTERIFICATION METHOD BAYER MATERIALSCIENCE AG (DE) 2009-05-07 US disclosed
US-20080319156-A1 Process For The Preparation Of Polycarbonate By The Melt Transesterification Process BAYER MATERIALSCIENCE AG (DE) 2008-12-25 US disclosed