SCHEMBL7487487

SCHEMBL7487487

CC(=O)c1ccc(C=CC(=O)O)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ AKR1B1 P15121 5/20 0.66
▸ HSD17B10 Q99714 4/20 0.66
▸ NFKB1 P19838 4/20 0.66
▸ MAPK1 P28482 4/20 0.66
▸ CA12 O43570 3/20 0.66
▸ CA1 P00915 3/20 0.66
▸ CA2 P00918 3/20 0.66
▸ CA3 P07451 3/20 0.66
▸ CA4 P22748 3/20 0.66
▸ CA6 P23280 3/20 0.66
▸ CA5A P35218 3/20 0.66
▸ CA7 P43166 3/20 0.66
▸ CA9 Q16790 3/20 0.66
▸ CA14 Q9ULX7 3/20 0.66
▸ CA5B Q9Y2D0 3/20 0.66
▸ AKR1B10 O60218 3/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ HPGD P15428 3/20 0.66
▸ KMT2A Q03164 3/20 0.66

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
SCHEMBL7487480 1.00 KDM4E (0.66) KDM4EAKR1B1HSD17B10NFKB1MAPK1
SCHEMBL17365409 0.86 KDM4E (0.55) KDM4EAKR1B1HSD17B10NFKB1MAPK1
SCHEMBL30744068 0.86 KDM4E (0.55) KDM4EAKR1B1HSD17B10NFKB1MAPK1
SCHEMBL28483328 0.86 KDM4E (0.55) KDM4EAKR1B1HSD17B10NFKB1MAPK1
SCHEMBL14898184 0.83 KDM4E (0.66) KDM4EAKR1B1HSD17B10NFKB1MAPK1
SCHEMBL16153884 0.81 NPSR1 (0.51) KDM4EAKR1B1HSD17B10NFKB1MAPK1
Caffeic Acid SCHEMBL8028609 0.81 KDM4E (0.86) KDM4EAKR1B1HSD17B10NFKB1MAPK1
SCHEMBL11586243 0.80 MAPT (0.77) KDM4EAKR1B1HSD17B10NFKB1MAPK1
SCHEMBL30383805 0.80 MAPT (0.77) KDM4EAKR1B1HSD17B10NFKB1MAPK1
Caffeic Acid SCHEMBL7064846 0.80 KDM4E (1.00) KDM4EAKR1B1HSD17B10NFKB1MAPK1

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 8 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
EP-0028063-B1 PHENOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-06-13 — — EP disclosed
EP-0028063-A1 Phenol derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1981-05-06 — — EP disclosed
Send feedback