SCHEMBL10014722

SCHEMBL10014722

O=C1C2C3CCC(C3)C2C(=O)N1C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.38
ADRA2A P08913 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
ADCY2 Q08462 1/20 0.37
TP53 P04637 1/20 0.37
HIF1A Q16665 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
SCHEMBL26948272 0.76 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL31372407 0.76 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL20464796 0.76 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL31372514 0.76 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL521622 0.76 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL30210159 0.73 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL9463318 0.72 ALDH1A1 (0.52) KMT2AALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL12858738 0.71 ALDH1A1 (0.55) KMT2AALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7603402 0.71 ALDH1A1 (0.55) KMT2AALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL22808576 0.71 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2CYP2C9CYP2C19

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
US-20120029161-A1 COMPOSITION FOR THERMOPLASTIC SILICONE RESIN NITTO DENKO CORPORATION (JP) 2012-02-02 US disclosed
US-20120029161-A1 COMPOSITION FOR THERMOPLASTIC SILICONE RESIN NITTO DENKO CORPORATION (JP) 2012-02-02 US disclosed