SCHEMBL7453258

SCHEMBL7453258

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
CDK4 P11802 6/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ABCB1 P08183 1/20 0.45
CDK2 P24941 2/20 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
SCHEMBL10694902 0.85 ALDH1A1 (0.62) HTTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL11783691 0.84 ALDH1A1 (0.64) ALDH1A1HPGDPOLBSMN1; SMN2MAPT
SCHEMBL10552506 0.82 ALDH1A1 (0.51) HTTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL7450482 0.81 HIF1A (0.53) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL7450494 0.81 HIF1A (0.53) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL22639742 0.80 CDK4 (0.67) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL945328 0.80 ALDH1A1 (0.53) ALDH1A1HPGDPOLBSMN1; SMN2MAPT
SCHEMBL19405224 0.80 CDK4 (0.67) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL5511320 0.80 S1PR1 (0.49) ALDH1A1HPGDPOLBSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11270317 0.79 ALDH1A1 (0.49) ALDH1A1HPGDPOLBSMN1; SMN2MAPT

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
CN-1067071-C Carboline derivatives ICOS CORP (US) 2001-06-13 CN 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
CN-1218471-A Carboline derivatives ICOS CORP (US) 1999-06-02 CN 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