SCHEMBL7566003

SCHEMBL7566003

CCOC(=O)c1c(C)nc(C)nc1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ADORA3 P0DMS8 6/20 0.56
TRPM8 Q7Z2W7 1/20 0.52
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
GRM6 O15303 1/20 0.49
PRKCZ Q05513 1/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GABRA2 P47869 1/20 0.48

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
SCHEMBL13780197 0.86 ADORA3 (0.74) ALDH1A1ADORA3KDM4ENPC1MAPT
SCHEMBL15481445 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1ADORA3TRPM8KDM4E
Hydrochloric Acid SCHEMBL10377238 0.83 ADORA3 (0.56) ALDH1A1ADORA3KDM4ENPC1MAPT
SCHEMBL9788390 0.83 KDM4E (0.64) ALDH1A1L3MBTL1ADORA3KDM4ENPC1
SCHEMBL10410199 0.81 EGLN1 (0.48) KDM4EHTT
SCHEMBL10519868 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1TRPM8KDM4ENPC1
SCHEMBL6949795 0.78 ADORA3 (0.50) ALDH1A1L3MBTL1ADORA3TRPM8KDM4E
SCHEMBL28484544 0.77 ADORA2B (0.60) ALDH1A1L3MBTL1ADORA3TRPM8KDM4E
SCHEMBL23930239 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1ADORA3TRPM8KDM4E
SCHEMBL30007091 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1ADORA3TRPM8KDM4E

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-0705837-B1 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES (JP) 2002-08-07 EP disclosed
US-5744604-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
US-5677455-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0705837-A2 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1996-04-10 EP disclosed
US-4929620-A ANTILIPEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
US-4868185-A HYPOLIPIDEMIC, ANTICHOLESTEROL WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed