SCHEMBL9129124

SCHEMBL9129124

N#CCC(=O)NC1CCC(O)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
EPHX2 P34913 2/20 0.52
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MCL1 Q07820 3/20 0.42
HTR2A P28223 5/20 0.40
DRD3 P35462 5/20 0.40
DRD2 P14416 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 1/20 0.37
RORC P51449 1/20 0.36
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9129119 1.00 KMT2A (0.71) KMT2AEPHX2POLBGAATDP1
SCHEMBL1963069 0.92
SCHEMBL15797043 0.84 KMT2A (0.70) KMT2AEPHX2POLBGAATDP1
SCHEMBL6322623 0.84 KMT2A (0.70) KMT2APOLBGAATDP1ALDH1A1
SCHEMBL14654974 0.83 KMT2A (0.69) KMT2APOLBGAATDP1ALDH1A1
SCHEMBL6321675 0.82 KMT2A (0.68) KMT2AEPHX2POLBGAATDP1
SCHEMBL1403047 0.82 KMT2A (0.68) KMT2AEPHX2POLBGAATDP1
SCHEMBL22436470 0.79 KMT2A (0.64) KMT2APOLBGAATDP1ALDH1A1
SCHEMBL14652034 0.79 KMT2A (0.63) KMT2APOLBGAATDP1ALDH1A1
SCHEMBL6324524 0.79 KMT2A (0.63) KMT2AEPHX2POLBGAATDP1

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
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed