SCHEMBL5689764

SCHEMBL5689764

CS(=O)(=O)N(c1ccc(CCO)cc1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
CA1 P00915 4/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
PPARA Q07869 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
OPRK1 P41145 1/20 0.37
APLNR P35414 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GALR3 O60755 1/20 0.37

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
SCHEMBL7453612 0.83 NPC1 (0.51) CA2CA1CA12CA4CA6
SCHEMBL13886412 0.78 ALDH1A1 (0.38) OPRK1APLNR
SCHEMBL13319989 0.78 CA2 (0.47) CA2OPRK1APLNRKDM4E
SCHEMBL3060002 0.76 APLNR (0.39) CA2CA1CA7CA9TDP1
SCHEMBL5479553 0.76 APLNR (0.39) CA2CA1CA7CA9TDP1
SCHEMBL2598795 0.74 HRH3 (0.50) CA2TDP1TSHROPRK1APLNR
SCHEMBL1434498 0.74 CA2 (0.64) CA2CA1CA12CA4CA6
SCHEMBL5994202 0.73 PPARA (0.49) CA2CA1CA12CA4CA6
SCHEMBL66152 0.73 ALDH1A1 (0.58) CA2CYP4F2CYP4A11TDP1TSHR
SCHEMBL1334344 0.73 ENPP2 (0.50) CA2CA1CA12CA4CA5A

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-1638927-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004113282-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed