SCHEMBL23081582

SCHEMBL23081582

CC(C)NNC(=O)CCN1C(=O)C(C(C)C)N(CCC(=O)NNC(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL293304 0.83 POLB (0.37) KDM4ETP53HSD17B10KMT2AHDAC1
Ammonia Solution, Strong SCHEMBL28241761 0.82 POLB (0.36) KDM4ETP53HSD17B10KMT2AHDAC1
SCHEMBL13933033 0.76 POLB (0.32)
SCHEMBL22989395 0.73 ALDH1A1 (0.38) RAB9AATMKMT2AHDAC1HDAC6
SCHEMBL23737483 0.72 SMN1; SMN2 (0.40) RAB9AKDM4EHSD17B10KMT2A
SCHEMBL11056809 0.71 KDM4E (0.33) KDM4ETP53HSD17B10HDAC1HDAC6
SCHEMBL11636451 0.68 TSHR (0.37) KDM4ETP53HSD17B10KMT2AHDAC1
SCHEMBL21393237 0.65 F2 (0.37) TP53HDAC6
SCHEMBL22989310 0.64 HDAC6 (0.42) HDAC1HDAC6
SCHEMBL4413710 0.64 POLB (0.43) RAB9AKDM4EATMKMT2A

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
WO-2021044884-A1 CURABLE RESIN COMPOSITION, SEALING AGENT FOR LIQUID CRYSTAL DISPLAY ELEMENT, VERTICALLY CONDUCTIVE MATERIAL, AND LIQUID CRYSTAL DISPLAY ELEMENT 積水化学工業株式会社 2021-03-11 WO disclosed