SCHEMBL7764762

SCHEMBL7764762

Cc1ncc(OC(=O)O)c(C)c1OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL9413727 0.74 KDM4E (0.33) KDM4E
SCHEMBL8746464 0.69 GABRP (0.31)
SCHEMBL29037188 0.67 MEN1 (0.45) KMT2A
SCHEMBL9236631 0.67 KDM4E (0.35) KMT2AKDM4EMAPT
SCHEMBL7043226 0.66 KDM4E (0.53) KMT2AKDM4EMAPT
SCHEMBL2352572 0.66 FOS (0.36) KMT2AKDM4E
SCHEMBL9240767 0.66 PDE10A (0.32)
SCHEMBL2637729 0.66 SMN1; SMN2 (0.41) KMT2AKDM4EMAPT
SCHEMBL27566292 0.66 KDM4E (0.36) KMT2AKDM4EMAPT
SCHEMBL10695297 0.66 NTRK1 (0.36) KMT2AKDM4EMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018374-B2 Crystal of amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-28 US disclosed
EP-2583967-B1 CRYSTAL OF AMIDE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-10-01 EP disclosed
US-20130252954-A2 CRYSTAL OF AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-26 US disclosed
EP-2583967-A1 CRYSTAL OF AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-04-24 EP disclosed
US-20130090337-A1 CRYSTAL OF AMIDE COMPOUND KITAYAMA MASATO (JP) 2013-04-11 US disclosed
EP-1112271-A1 ERGOLINE AMINE DERIVATIVES WITH BLOOD PRESSURE LOWERING EFFECT Cybio Screening GmbH (DE) 2001-07-04 EP disclosed
WO-2000004018-A1 ERGOLINE AMINE DERIVATIVES WITH BLOOD PRESSURE LOWERING EFFECT CYBIO SCREENING GMBH (DE) 2000-01-27 WO disclosed