SCHEMBL6976461

SCHEMBL6976461

CC(C)(C)OC(=O)N1CCC(CCC(CCC2CCN(C(=O)O)CC2)C(=O)NCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
TP53 P04637 3/20 0.45
THRB P10828 1/20 0.44
PSMB5 P28074 2/20 0.43
YAP1 P46937 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MCHR1 Q99705 1/20 0.39
SFN P31947 1/20 0.38
CCR3 P51677 1/20 0.38
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL6967985 0.85 YAP1 (0.45) TP53YAP1LMNAPOLBMAPT
SCHEMBL6975227 0.85 YAP1 (0.48) YAP1POLBMAPTMEN1KMT2A
SCHEMBL6976104 0.85 YAP1 (0.47) TP53THRBYAP1LMNAMAPT
SCHEMBL6971270 0.84 YAP1 (0.46) TP53YAP1LMNAPOLBMAPT
SCHEMBL6966742 0.84 YAP1 (0.49) TP53YAP1LMNAPOLBMAPT
SCHEMBL6976494 0.83 YAP1 (0.44) YAP1POLBMAPTMEN1KMT2A
SCHEMBL6964195 0.82 YAP1 (0.45) TP53YAP1LMNAMAPTMEN1
SCHEMBL7953780 0.76 KDM4E (0.42) TP53THRBLMNAPOLBMAPT
SCHEMBL6966451 0.76 KDM4E (0.45) TP53THRBYAP1LMNAPOLB
SCHEMBL6970413 0.75 BCHE (0.47) YAP1MAPTKDM4EPKM

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
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed