SCHEMBL8315005

SCHEMBL8315005

CC(=O)C#CCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
ALOX15 P16050 1/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.41
MAOB P27338 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL9780150 0.81 KDM4E (0.46) KCNH2ALOX15MTNR1AMTNR1BL3MBTL1
SCHEMBL28542687 0.80 ALOX15 (0.46) KCNH2ALOX15RAB9AMEN1KMT2A
SCHEMBL5658080 0.80 ALDH1A1 (0.47) KCNH2ALOX15MTNR1AMTNR1BL3MBTL1
SCHEMBL15863438 0.79 KCNH2 (0.49) KCNH2ALOX15MTNR1AMTNR1BL3MBTL1
SCHEMBL534771 0.77 ALOX15 (0.43) KCNH2ALOX15ALDH1A1RAB9AMEN1
SCHEMBL9808291 0.77 KCNH2 (0.57) KCNH2ALOX15ALDH1A1LMNACA12
Acetone SCHEMBL10336499 0.76 ALOX15 (0.48) ALOX15MTNR1AMTNR1BL3MBTL1MAPT
Acetic Acid SCHEMBL28643354 0.76 ALOX15 (0.48) ALOX15MTNR1AMTNR1BL3MBTL1MAPT
SCHEMBL1618118 0.74 KCNH2 (0.50) KCNH2ALOX15ALDH1A1PKMLMNA
SCHEMBL9338770 0.74 KCNH2 (0.55) KCNH2LMNACA12CA1CA2

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-0649425-B1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS UPJOHN CO (US) 1999-03-10 EP disclosed
US-5597816-A Pyrazoloazepino substituted oximes useful as anti-atherosclerosis and anti-hypercholesterolemic agents THE UPJOHN COMPANY (US) 1997-01-28 US disclosed
US-5565468-A 4,5,6,7-TETRAHYDROPYRAZOLO(1,5-A)PYRID-3-YL, PYRAZOLO(1,5-A)PYRID-3-YL, IMIDAZO(1,5-A)PYRIDIN-1-YL OR IMIDAZO(1,2-A)-PYRID-3-YL OXIME DERIVATIVES THE UPJOHN COMPANY (US) 1996-10-15 US disclosed
US-5523318-A Pyrrolidino-substituted oximes useful as anti-atherosclerosis and anti-hypercholesterolemic agents THE UPJOHN COMPANY (US) 1996-06-04 US disclosed
EP-0649425-A1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-04-26 EP disclosed
WO-1993025553-A1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS THE UPJOHN COMPANY (US) 1993-12-23 WO disclosed