SCHEMBL7586544

SCHEMBL7586544

COC(=O)C#CC(C)(C)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALOX15 P16050 2/20 0.51
ALDH1A1 P00352 2/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.49
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
PLK1 P53350 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
SMN1; SMN2 Q16637 3/20 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
SCHEMBL7587185 0.74 CA1 (0.46) LMNAALOX15ALDH1A1APEX1MAPK1
SCHEMBL7585928 0.74 ALDH1A1 (0.41) LMNAALDH1A1TDP1MAPTRAB9A
SCHEMBL3742483 0.72 CA1 (0.48) LMNAALOX15ALDH1A1APEX1MAPK1
SCHEMBL7138584 0.72 CA1 (0.42) LMNAALOX15ALDH1A1APEX1MAPK1
SCHEMBL17845127 0.72 APP (0.57) LMNACA1CA2PLK1L3MBTL1
SCHEMBL7591916 0.70 CA1 (0.41) LMNAALOX15ALDH1A1APEX1MAPK1
SCHEMBL8626139 0.70 APP (0.55) LMNAALOX15ALDH1A1APEX1MAPK1
SCHEMBL8187459 0.69 MAPT (0.56) LMNAALOX15ALDH1A1APEX1MAPK1
SCHEMBL7592148 0.69 CA1 (0.48) LMNAALOX15ALDH1A1APEX1MAPK1
SCHEMBL989065 0.69 CA1 (0.48) LMNAALOX15ALDH1A1APEX1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780375-B1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER (US) 2002-09-11 EP disclosed
US-5789423-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-08-04 US disclosed
EP-0780375-A1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER INC. (US) 1997-06-25 EP disclosed