SCHEMBL6955849

SCHEMBL6955849

C/C(N)=C(\CC1CCCO1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
ANPEP P15144 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6955860 1.00 KMT2A (0.42) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL8416346 0.86 ALDH1A1 (0.46) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL8416348 0.86 ALDH1A1 (0.46) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL8418119 0.86 ALDH1A1 (0.46) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL14719065 0.81 ALDH1A1 (0.43) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL1499962 0.76
SCHEMBL2561552 0.76
SCHEMBL14744490 0.76
SCHEMBL14744489 0.76
SCHEMBL8171660 0.76 KMT2A (0.44) KMT2AALDH1A1KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed
US-5177211-A Anti-platelet aggregation and anti-hypotensive ALTER, S.A. (ES) 1993-01-05 US disclosed
EP-0325187-B1 4-ALKYL-1, 4-DIHYDROPYRIDINES WITH PAF-ANTAGONIST ACTIVITY ALTER, S.A. (ES) 1992-11-11 EP disclosed
EP-0325187-A1 4-alkyl-1, 4-dihydropyridines with PAF-antagonist activity ALTER, S.A. (ES) 1989-07-26 EP disclosed
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 US disclosed
US-4656181-A CARDIOTONIC AGENTS CERMOL S.A. (CH) 1987-04-07 US disclosed