SCHEMBL9214872

SCHEMBL9214872

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CCC(CCC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
ITGB3 P05106 10/20 0.34
ITGA2B P08514 10/20 0.34
FAAH O00519 1/20 0.33
F2R P25116 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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
SCHEMBL9223545 1.00 KDM4E (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL9214882 1.00 KDM4E (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL15080558 0.88 ALDH1A1 (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL13519732 0.88 ALDH1A1 (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL17574398 0.87 ACACB (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL28173828 0.87 ACACB (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL9073870 0.85 ALDH1A1 (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL17574380 0.85 ALDH1A1 (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL7299678 0.85 ALDH1A1 (0.36) KDM4EPKMALDH1A1KMT2AMEN1
SCHEMBL15533902 0.83 LMNA (0.44) ALDH1A1KMT2AMEN1TSHR

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-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed