SCHEMBL7778418

SCHEMBL7778418

O=C(O)COCCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
HTT P42858 1/20 0.64
EPHX2 P34913 5/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
LMNA P02545 1/20 0.44
HSD11B1 P28845 2/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7778488 0.83 KDM4E (0.57) KDM4EHTTEPHX2POLBHPGD
SCHEMBL15545516 0.81 HTT (0.55) KDM4EHTTEPHX2POLBHPGD
SCHEMBL17457697 0.79 ALDH1A1 (0.60) EPHX2MEN1KMT2ALMNAALDH1A1
SCHEMBL6891227 0.79 ALDH1A1 (0.62) KDM4EHTTEPHX2POLBMEN1
SCHEMBL8879807 0.78 KDM4E (1.00) KDM4EHTTEPHX2POLBHPGD
SCHEMBL24201255 0.77 EPHX2 (0.60) EPHX2MEN1KMT2AALDH1A1
SCHEMBL28504782 0.76 KDM4E (0.57) KDM4EHTTEPHX2POLBHPGD
SCHEMBL1758666 0.74 HTT (0.68) KDM4EHTTPOLBHPGDMEN1
SCHEMBL28334704 0.74 KDM4E (0.68) KDM4EHTTEPHX2POLBHPGD
SCHEMBL16365921 0.73 KDM4E (0.76) KDM4EHTTEPHX2HPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477912-B1 Novel N-acyldipeptides, and pharmaceutical compositions containing the same UNIV LJUBLJANI (SI) 2001-08-29 EP disclosed
US-5514654-A ANTITUMOR AGENTS AND IMMUNOMODULATORS UNIV LJUBLJANI (SI) 1996-05-07 US disclosed
EP-0477912-A2 Novel N-acyldipeptides, processes for the preparation thereof and pharmaceutical compositions containing the same UNIVERZA EDVARDA KARDELJA V LJUBLJANI, VDO FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, N.SOL.O., LUBLJANA (YU) 1992-04-01 EP disclosed