SCHEMBL13625648

SCHEMBL13625648

O=C(O)c1cc(CO)cc(C(=O)OC2CCC[C@H]3CCCC[C@@H]23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.43
PRKCA P17252 10/20 0.35
PRKCD Q05655 10/20 0.35
PRKCG P05129 7/20 0.35
PRKCB P05771 7/20 0.35
PRKCH P24723 7/20 0.35
PRKCE Q02156 7/20 0.35
ALDH1A1 P00352 1/20 0.32
SLC18A3 Q16572 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CREBBP Q92793 1/20 0.31
PRKACA P17612 4/20 0.31
PRKACG P22612 3/20 0.31
PRKACB P22694 3/20 0.31
PRKCZ Q05513 2/20 0.31

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
SCHEMBL13625650 0.72 SERPINE1 (0.49) SERPINE1PRKCAPRKCDALDH1A1MEN1
SCHEMBL13625652 0.71 SERPINE1 (0.44) SERPINE1PRKCAPRKCDMEN1KMT2A
SCHEMBL4312250 0.70 PRKCA (0.45) PRKCAPRKCDALDH1A1KMT2ACREBBP
SCHEMBL28837883 0.69 CYP1A2 (0.40) SERPINE1PRKCAPRKCDPRKCGPRKCB
SCHEMBL1551997 0.69 TPMT (0.50) PRKCAPRKCDALDH1A1CREBBP
SCHEMBL27653743 0.68 SERPINE1 (0.55) SERPINE1MEN1KMT2A
SCHEMBL7181835 0.68 NPC1 (0.33) SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL475791 0.67 SLC7A5 (0.49) PRKCAPRKCDALDH1A1CREBBP
SCHEMBL2611728 0.67 SERPINE1 (0.53) SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL7054328 0.67 SERPINE1 (0.53) SERPINE1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed