SCHEMBL165770

SCHEMBL165770

O=C(O)OCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
BCHE P06276 1/20 0.45

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
SCHEMBL2254970 0.98 KMT2A (0.50) KMT2AMEN1MAPK1CYP1A2SMN1; SMN2
SCHEMBL16829928 0.88 SMN1; SMN2 (0.57) KMT2AMEN1MAPK1CYP1A2SMN1; SMN2
SCHEMBL165769 0.84 KMT2A (0.54) KMT2AMEN1MAPK1CYP1A2SMN1; SMN2
SCHEMBL167209 0.82 KMT2A (0.51) KMT2AMEN1MAPK1CYP1A2SMN1; SMN2
SCHEMBL10386591 0.81 KMT2A (0.51) KMT2AMEN1MAPK1CYP1A2ALDH1A1
SCHEMBL17387575 0.81 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL5093580 0.81 L3MBTL1 (0.55) KMT2AMEN1MAPK1CYP1A2SMN1; SMN2
SCHEMBL5111511 0.81 KMT2A (0.51) KMT2AMEN1MAPK1CYP1A2SMN1; SMN2
SCHEMBL14959640 0.81 KMT2A (0.51) KMT2AMEN1MAPK1CYP1A2SMN1; SMN2
SCHEMBL328570 0.81 KMT2A (0.51) KMT2AMEN1MAPK1CYP1A2SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018197-B2 Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use SUZHOU NEUPHARMA CO. LTD. (CN) 2015-04-28 US claimed
CN-102656179-A Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA CO LTD 2012-09-05 CN claimed
CN-102656179-B Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA Co.,Ltd. (CN) 2015-07-29 CN disclosed
US-9018197-B2 Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use SUZHOU NEUPHARMA CO. LTD. (CN) 2015-04-28 US disclosed
CN-102656179-A Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA CO LTD 2012-09-05 CN disclosed
WO-2012027957-A1 BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SUZHOU NEUPHARMA CO., LTD. (CN) 2012-03-08 WO disclosed