SCHEMBL9428447

SCHEMBL9428447

COc1cc(C(=O)O)ccc1CS

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
TPMT P51580 1/20 0.62
HTT P42858 2/20 0.59
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
TTR P02766 2/20 0.51
PKM P14618 2/20 0.50
CA3 P07451 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL6859656 0.86 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL2592749 0.86 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL9364255 0.85 MAPT (0.57) CA12CA1CA2CA7CA9
SCHEMBL2424457 0.84 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL9516446 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL30143532 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL1251597 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL2784039 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL18280405 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL16664960 0.82 PLK1 (0.49) HTTTSHRLMNARAB9AMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP claimed
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0403249-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed