SCHEMBL7943550

SCHEMBL7943550

CCOC(=O)CC(NC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
YAP1 P46937 3/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ROCK2 O75116 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
CHRM1 P11229 1/20 0.37
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.37
CCR3 P51677 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
SCHEMBL7943621 0.93 KDM4E (0.40) TGFBR1KDM4EPKMLMNAYAP1
SCHEMBL6971137 0.92 KDM4E (0.41) TGFBR1KDM4EPKMLMNAYAP1
SCHEMBL7953690 0.90 KDM4E (0.40) TGFBR1KDM4EPKMLMNAYAP1
SCHEMBL6969250 0.88 NPC1 (0.43) TGFBR1KDM4EPKMLMNAYAP1
SCHEMBL6975040 0.88 LMNA (0.42) KDM4EPKMLMNAGPR119TP53
Hydrochloric Acid SCHEMBL7943472 0.82 ROCK2 (0.44) CTSLCTSSCTSKROCK2
SCHEMBL6964406 0.82 KDM4E (0.41) TGFBR1KDM4EPKMLMNAYAP1
SCHEMBL6966451 0.81 KDM4E (0.45) KDM4EPKMLMNAYAP1GPR119
SCHEMBL6964195 0.81 YAP1 (0.45) TGFBR1KDM4EPKMLMNAYAP1
SCHEMBL6969887 0.80 TGFBR1 (0.49) TGFBR1

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-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed