SCHEMBL7415344

SCHEMBL7415344

CC(C)/C=C1\CC(=O)OC1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29030254 0.98 MEN1 (0.31) MEN1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL29030267 0.98 MEN1 (0.31) MEN1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL28743001 0.98 MEN1 (0.31) MEN1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL7771253 0.75
SCHEMBL20122754 0.75
SCHEMBL29030080 0.73
SCHEMBL28629969 0.73
SCHEMBL1895847 0.70 ALOX5 (0.35)
SCHEMBL775803 0.70
SCHEMBL233054 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579650-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-01-26 EP disclosed
WO-1992017460-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1992-10-15 WO disclosed
US-4182629-A Photochromic compounds HELLER HAROLD G (GB) 1980-01-08 US disclosed
US-4145536-A Photochromic compounds HELLER HAROLD G 1979-03-20 US disclosed