SCHEMBL7450482

SCHEMBL7450482

CN(C)CC(O)COc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.53
HTT P42858 1/20 0.53
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
CDK4 P11802 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.45
ABCB1 P08183 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7450494 1.00 HIF1A (0.53) HIF1AHTTTHRBATMALDH1A1
SCHEMBL7453258 0.81 HIF1A (0.60) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL7488335 0.81 THRB (0.54) HTTTHRBATMALDH1A1POLB
SCHEMBL11546773 0.81 CYP1A2 (0.57) THRBATMALDH1A1KMT2AKDM4E
SCHEMBL7488342 0.81 THRB (0.54) HTTTHRBATMALDH1A1POLB
Fumaric Acid SCHEMBL10730926 0.81 HIF1A (0.50) HIF1AHTTTHRBALDH1A1HPGD
SCHEMBL11543976 0.80 CYP1A2 (0.51) HTTTHRBATMALDH1A1POLB
SCHEMBL3692639 0.80 THRB (0.60) HTTTHRBATMALDH1A1POLB
SCHEMBL157926 0.80 THRB (0.60) HTTTHRBATMALDH1A1POLB
SCHEMBL7768948 0.79 THRB (0.54) HTTTHRBATMALDH1A1POLB

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