SCHEMBL7405689

SCHEMBL7405689

CCOC(=O)Cc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 1/20 0.55
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
HCAR2 Q8TDS4 2/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
AKR1B10 O60218 1/20 0.49
CA3 P07451 1/20 0.49
PKM P14618 1/20 0.49
TYR P14679 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
DPP4 P27487 1/20 0.49

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
SCHEMBL7405692 1.00 CYP4Z1 (0.55) CYP4Z1THRBATMCA12CA1
SCHEMBL22765987 0.85 CTDSP1 (0.57) CYP4Z1PKMKDM4EMAPK1ALDH1A1
SCHEMBL29438260 0.85 THRB (0.57) THRBATMCA12CA1CA2
SCHEMBL25305917 0.85 THRB (0.57) THRBATMCA12CA1CA2
SCHEMBL18552320 0.83 CYP4Z1 (0.57) CYP4Z1CA12CA1CA2CA7
SCHEMBL22070847 0.83 ALDH1A1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL68851 0.82 CYP4Z1 (0.62) CYP4Z1PKMKDM4EMAPK1ALDH1A1
SCHEMBL1579390 0.81 CA12 (0.75) THRBATMCA12CA1CA2
SCHEMBL1579391 0.81 CA12 (0.75) THRBATMCA12CA1CA2
SCHEMBL27792934 0.81 CA12 (0.75) THRBATMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 WO disclosed