SCHEMBL1522527

SCHEMBL1522527

CCC(C(=O)O)C1=NS(=O)(=O)c2cccc(OC)c2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 5/20 0.35
CXCR2 P25025 1/20 0.35
POLB P06746 3/20 0.35
MAPK1 P28482 1/20 0.35
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
AKR1C1 Q04828 1/20 0.34
PTGS1 P23219 1/20 0.34
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 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
SCHEMBL1522529 0.88 AKR1C3 (0.34) ALDH1A1POLBAKR1C3AKR1C2AKR1C1
SCHEMBL1522647 0.77 ALDH1A1 (0.53) HSD17B10ALDH1A1MAPK1LMNACA12
SCHEMBL3390541 0.77 ALDH1A1 (0.42) HSD17B10ALDH1A1CXCR2POLBMAPK1
SCHEMBL1523638 0.74 AKR1C3 (0.48) ALDH1A1POLBAKR1C3AKR1C2AKR1C1
SCHEMBL1523741 0.74 AKR1C3 (0.48) POLBAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL8286607 0.74 CA12 (0.53) HSD17B10ALDH1A1CXCR2POLBMAPK1
SCHEMBL1523409 0.69 CA12 (0.40) HSD17B10ALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL29889833 0.67 POLB (0.53) ALDH1A1POLBAKR1C3AKR1C2AKR1C1
SCHEMBL1999919 0.67 POLB (0.53) ALDH1A1POLBAKR1C3AKR1C2AKR1C1
SCHEMBL1522649 0.67 ALDH1A1 (0.41) HSD17B10ALDH1A1LMNACA12CA1

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-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed