SCHEMBL9220375

SCHEMBL9220375

COc1ccc(CC(CC(=O)N2CCCCC2)C(=O)N2C(=O)OCC2C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
IL6ST P40189 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
FKBP1A P62942 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
SCHEMBL9220378 1.00 KMT2A (0.45) KMT2AMEN1POLBPKMIL6ST
SCHEMBL9220381 1.00 KMT2A (0.45) KMT2AMEN1POLBPKMIL6ST
SCHEMBL9214752 0.92 MAPT (0.47) KMT2AMEN1POLBPKMIL6ST
SCHEMBL7439715 0.92 FKBP1A (0.47) KMT2AMEN1POLBPKMIL6ST
SCHEMBL7327072 0.92 FKBP1A (0.47) KMT2AMEN1POLBPKMIL6ST
SCHEMBL7439721 0.92 FKBP1A (0.47) KMT2AMEN1POLBPKMIL6ST
SCHEMBL9217065 0.79 TDP1 (0.49) IL6STSMN1; SMN2ALDH1A1MAPT
SCHEMBL9217062 0.79 TDP1 (0.49) IL6STSMN1; SMN2ALDH1A1MAPT
SCHEMBL9217060 0.79 TDP1 (0.49) IL6STSMN1; SMN2ALDH1A1MAPT
SCHEMBL7268138 0.76 KMT2A (0.56) KMT2AMEN1POLBPKMSMN1; SMN2

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-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed