SCHEMBL7825685

SCHEMBL7825685

CC(C)(CC(=O)N1CCC(CC(=O)OCc2ccccc2)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 5/20 0.45
HTT P42858 1/20 0.42
CTSL P07711 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FKBP1A P62942 1/20 0.41
GRIN2B Q13224 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL23798257 0.82 YAP1 (0.58) YAP1HTTKDM4EPKMKMT2A
SCHEMBL7825211 0.82 ITGB3 (0.51)
SCHEMBL7824541 0.81 CCR1 (0.51) YAP1HTTKDM4EPKMSIGMAR1
SCHEMBL6497079 0.80 SMN1; SMN2 (0.54) YAP1HTTKDM4EPKMKMT2A
SCHEMBL25502060 0.78 KDM4E (0.52) YAP1HTTKDM4EPKMKMT2A
SCHEMBL25502059 0.78 KDM4E (0.52) YAP1HTTKDM4EPKMKMT2A
SCHEMBL30312922 0.78 KDM4E (0.52) YAP1HTTKDM4EPKMKMT2A
SCHEMBL25819172 0.77 ACACB (0.51) KMT2A
SCHEMBL2186640 0.77 FKBP1A (0.47) CTSLKMT2AFKBP1ANPC1RAB9A
SCHEMBL8791458 0.75 SMN1; SMN2 (0.50) YAP1SIGMAR1GRIN2BNPC1RAB9A

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-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed