SCHEMBL6993841

SCHEMBL6993841

COC(=O)C(C)Nc1cc2c(cc1OCc1ccccc1)N(C(=O)OC(C)(C)C)C[C@H]2COC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.38
GHSR Q92847 7/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
AGTR2 P50052 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 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
SCHEMBL7469349 0.84 GHSR (0.34) YAP1GHSRNPC1RAB9APKM
SCHEMBL7469344 0.84 GHSR (0.34) YAP1GHSRNPC1RAB9APKM
SCHEMBL7470100 0.84 GHSR (0.34) YAP1GHSRNPC1RAB9APKM
SCHEMBL7470104 0.84 GHSR (0.34) YAP1GHSRNPC1RAB9APKM
SCHEMBL6997323 0.83 GHSR (0.38) YAP1GHSRNPC1RAB9APKM
SCHEMBL7473609 0.83 GHSR (0.38) YAP1GHSRNPC1RAB9APKM
SCHEMBL9318090 0.81 GHSR (0.37) YAP1GHSRNPC1RAB9APKM
SCHEMBL6995739 0.75 SRD5A2 (0.40) YAP1GHSRTLR9TLR7
SCHEMBL5865450 0.74 TLR9 (0.37) YAP1GHSRTLR9TLR7
SCHEMBL9367604 0.73 YAP1 (0.35) YAP1GHSRNPC1RAB9AMEN1

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-0937726-B1 INTERMEDIATES FOR THE PREPARATION OF DUOCARMYCIN SA AND DERIVATIVES THEREOF, AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES KYORIN SEIYAKU KK (JP) 2003-03-12 EP disclosed
US-6066742-A Intermediates for the preparation of duocarmycin SA and derivatives thereof, and process for the production of the intermediates KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US disclosed
EP-0937726-A1 INTERMEDIATES FOR THE PREPARATION OF DUOCARMYCIN SA AND DERIVATIVES THEREOF, AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1999-08-25 EP disclosed