SCHEMBL4312331

SCHEMBL4312331

CCOC(=O)c1cc(COC2CCCCO2)cc(C(=O)OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.52
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
EP300 Q09472 1/20 0.45
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL4311026 0.88 CREBBP (0.47) CREBBPRAB9ATP53NPC1HPGD
SCHEMBL4308378 0.84 CREBBP (0.49) CREBBPRAB9ANPC1HPGDEP300
SCHEMBL4315290 0.83 CREBBP (0.58) CREBBPRAB9ACYP2C9NPC1HPGD
SCHEMBL4309447 0.83 CREBBP (0.59) CREBBPEP300KMT2AALDH1A1MEN1
SCHEMBL4321064 0.82 CREBBP (0.46) CREBBPRAB9ANPC1EP300KMT2A
SCHEMBL4721279 0.80 CREBBP (0.52) CREBBPRAB9ACYP2C9CYP2C19NPC1
SCHEMBL3640912 0.80 ALDH1A1 (0.46) CREBBPRAB9ANPC1HPGDEP300
SCHEMBL10235987 0.80 ALDH1A1 (0.49) CREBBPRAB9ANPC1HPGDEP300
SCHEMBL2249806 0.80 CREBBP (0.40) CREBBPRAB9ATP53CYP2C9CYP2C19
SCHEMBL2526406 0.80 CREBBP (0.48) CREBBPRAB9ACYP2C9NPC1HPGD

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