SCHEMBL4307381

SCHEMBL4307381

CCCCCCCCC(=O)Nc1cc(COC2CCCCO2)cc(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.46
EP300 Q09472 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.41
ENPP2 Q13822 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR2 P34972 5/20 0.38
CNR1 P21554 5/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4308049 1.00 CREBBP (0.46) CREBBPEP300ALDH1A1HTTENPP2
SCHEMBL4309088 0.89 CREBBP (0.43) CREBBPEP300ALDH1A1HTTCYP3A4
SCHEMBL4310575 0.84 CREBBP (0.53) CREBBPEP300ALDH1A1CYP3A4CYP2C9
SCHEMBL4313076 0.82 CREBBP (0.49) CREBBPEP300ALDH1A1HTTCYP3A4
SCHEMBL4311026 0.79 CREBBP (0.47) CREBBPEP300ALDH1A1CYP3A4CNR2
SCHEMBL4315290 0.79 CREBBP (0.58) CREBBPEP300ALDH1A1CYP3A4CYP2C9
SCHEMBL10235987 0.78 ALDH1A1 (0.49) CREBBPEP300ALDH1A1GAANPSR1
SCHEMBL2526406 0.78 CREBBP (0.48) CREBBPEP300ALDH1A1CYP3A4CYP2C9
SCHEMBL3640912 0.78 ALDH1A1 (0.46) CREBBPEP300ALDH1A1HTTGAA
SCHEMBL4305918 0.78 CNR1 (0.45) ALDH1A1ENPP2CYP3A4CYP2C9CNR2

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