SCHEMBL4313076

SCHEMBL4313076

COC(=O)c1cc(COC2CCCCO2)cc(NC(=O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.49
EP300 Q09472 1/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ICAM1 P05362 1/20 0.35

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
SCHEMBL4310575 0.89 CREBBP (0.53) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL4315290 0.84 CREBBP (0.58) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL10235987 0.83 ALDH1A1 (0.49) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL2526406 0.83 CREBBP (0.48) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL3640912 0.83 ALDH1A1 (0.46) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL4307381 0.82 CREBBP (0.46) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL2529947 0.82 CREBBP (0.53) CREBBPEP300ALDH1A1NPC1RAB9A
SCHEMBL4308049 0.82 CREBBP (0.46) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL2532113 0.80 HTT (0.44) CREBBPEP300ALDH1A1GAASMN1; SMN2
SCHEMBL18304468 0.80 CREBBP (0.42) CREBBPEP300ALDH1A1GAANPSR1

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