SCHEMBL6108549

SCHEMBL6108549

CCCCOc1c(C(NC(=O)O)C(C)(C)C)n(CC2CC2)c(=O)c2ccc(OCC(N)=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
PLA2G2A P14555 3/20 0.38
AVPR1B P47901 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL6109273 0.89 DPP4 (0.50) DPP4PLA2G2AKDM4EALDH1A1HSD17B10
SCHEMBL6108734 0.88 AVPR1B (0.38) AVPR1BSMN1; SMN2
SCHEMBL6109987 0.88 GSK3B (0.36) DPP4AVPR1BKDM4EALDH1A1HSD17B10
SCHEMBL6109710 0.87 MAPK8 (0.42) AVPR1BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6108293 0.86 PGR (0.36) AVPR1BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6109022 0.85 GSK3B (0.33) PLA2G2AAVPR1BKDM4EALDH1A1HSD17B10
SCHEMBL6109701 0.84 ITGB1 (0.34) AVPR1BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6109441 0.84 PARP15 (0.35) AVPR1B
SCHEMBL6109595 0.82 AR (0.38) DPP4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5235599 0.81 DPP4 (0.43) DPP4PLA2G2AAVPR1BKDM4EALDH1A1

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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed