SCHEMBL7616865

SCHEMBL7616865

CC(C)(O[C]=O)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
IDO1 P14902 1/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL19002687 0.77 CA2 (0.48) CA2IDO1CA1CA9PTGES2
SCHEMBL4980093 0.73 ALDH1A1 (0.37) POLBKMT2A
SCHEMBL28383723 0.70 CA1 (0.40) CA2IDO1CA1CA9POLB
SCHEMBL3237778 0.70 CA2 (0.48) CA2IDO1CA1CA9PTGES2
SCHEMBL95876 0.68 SLC6A2 (0.47) LMNACTSKMMP8
SCHEMBL28181866 0.67 ALDH1A1 (0.37) CA1CA12CA7LMNACTSS
SCHEMBL515212 0.67 CA2 (0.53) CA2IDO1CA1CA9CA12
SCHEMBL3250700 0.66 CA2 (0.48) CA2IDO1CA1CA9CA12
SCHEMBL3240066 0.66 CA2 (0.48) CA2IDO1CA1CA9PTGES2
SCHEMBL302785 0.66 CA2 (0.69) CA2IDO1CA1CA9CA12

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-6432922-B1 ANTITUMOR AGENTS; ANGIOGENESIS INHIBITORS CORVAS INTERNATIONAL, INC. 2002-08-13 US disclosed
EP-1100814-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2001-05-23 EP disclosed
WO-2000005245-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2000-02-03 WO disclosed