SCHEMBL6432508

SCHEMBL6432508

C#CCOc1ccc(C(=O)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.53
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP19A1 P11511 2/20 0.46
GBA1 P04062 1/20 0.42
GBA2 Q9HCG7 1/20 0.42
NPC1 O15118 1/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL16561436 0.83 CA12 (0.53) GSTP1CA12CA1CA4CA9
SCHEMBL12517362 0.83 CYP19A1 (0.59) GSTP1CA12CA1CA4CA9
SCHEMBL18737335 0.83 CYP19A1 (0.50) GSTP1CA12CA1CA4CA9
SCHEMBL5704242 0.83 GSTP1 (0.46) GSTP1CA12CA1CA4CA9
SCHEMBL4398919 0.81 PKM (0.56) GSTP1CA12CA1CA4CA9
SCHEMBL24733164 0.81 CHRNB2 (0.50) GSTP1CA12CA1CA4CA9
SCHEMBL9718528 0.80 CA12 (0.50) GSTP1CA12CA1CA4CA9
SCHEMBL20273256 0.80 PARP10 (0.59) GSTP1CA12CA1CA4CA9
SCHEMBL9155792 0.80 L3MBTL1 (0.61) GSTP1CA12CA1CA4CA9
SCHEMBL28721563 0.80 CA12 (0.50) GSTP1CA12CA1CA4CA9

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-0989973-B1 CHALCONES HAVING ANTIPROLIFERATIVE ACTIVITY INDENA SPA (IT) 2005-08-31 EP disclosed
US-6423740-B1 ANTICARCINOGENIC AGENTS INDENA S.P.A. (IT) 2002-07-23 US disclosed
US-6147082-A 1,3-DIPHENYL-2-PROPENE-1-ONE DERIVATIVES; TREATING OR PREVENTING NEOPLASMS, MENOPAUSAL DISORDERS, AND OSTEOPOROSIS IN A MAMMAL INDENA S.P.A (IT) 2000-11-14 US disclosed
EP-0989973-A1 CHALCONES HAVING ANTIPROLIFERATIVE ACTIVITY INDENA S.p.A. (IT) 2000-04-05 EP disclosed
WO-1998058913-A1 CHALCONES HAVING ANTIPROLIFERATIVE ACTIVITY INDENA S.P.A. (IT) 1998-12-30 WO disclosed