SCHEMBL1897977

SCHEMBL1897977

O=C(C1CC1)C(CS(=O)(=O)O)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
OPRM1 P35372 2/20 0.35
ABCB11 O95342 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
P2RY12 Q9H244 1/20 0.35
CNR2 P34972 1/20 0.35
EEF2K O00418 3/20 0.34
KCNQ2 O43526 1/20 0.34
NOTUM Q6P988 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL28080811 0.81 KCNQ2 (0.47) CES2CES1OPRM1ABCB11CHRM2
SCHEMBL1404415 0.78 EEF2K (0.36) CES2CES1OPRM1CNR2EEF2K
SCHEMBL13193369 0.75 KMT2A (0.41) CES2CES1CNR2EEF2KKCNQ2
SCHEMBL15444204 0.74 NPC1 (0.40) CES2CES1KCNQ2MEN1KMT2A
SCHEMBL12809865 0.73 CES2 (0.54) CES2CES1OPRM1ABCB11CHRM2
SCHEMBL12126396 0.73 CES2 (0.54) CES2CES1OPRM1ABCB11CHRM2
SCHEMBL5861434 0.72 KMT2A (0.40) CES2CES1KCNQ2MEN1KMT2A
SCHEMBL3318078 0.72 CES2 (0.41) CES2CES1OPRM1ABCB11CHRM2
SCHEMBL242256 0.72 CES2 (0.41) CES2CES1OPRM1ABCB11CHRM2
SCHEMBL10005655 0.72 HIF1A (0.46) CES2CES1OPRM1ABCB11CHRM2

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-2501701-A1 METHOD OF PRODUCING HIGHLY PURE PRASUGREL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Zentiva, K.S. (CZ) 2012-09-26 EP disclosed
WO-2011057592-A1 METHOD OF PRODUCING HIGHLY PURE PRASUGREL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ZENTIVA, K.S. (CZ) 2011-05-19 WO disclosed