SCHEMBL21431091

SCHEMBL21431091

CC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)C(CCOC)(CCOC)c1cc(C(=O)/C(CC)=N/OC(C)=O)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL20090056 0.81 CTBP2 (0.36) PKMALDH1A1MAPK1KMT2AHTT
SCHEMBL21431277 0.80 — —
SCHEMBL17056229 0.80 PDK2 (0.40) PKMMAPTPDK2
SCHEMBL21431271 0.78 RXRA (0.33) —
SCHEMBL21431267 0.77 CYP2C19 (0.31) —
SCHEMBL18123032 0.77 PDK2 (0.33) PKMKMT2APOLBPDK2
SCHEMBL18012730 0.75 MAPT (0.35) PKMKMT2AHTTPOLBMAPT
SCHEMBL18123030 0.75 PDK2 (0.35) ALDH1A1MAPTPDK2
SCHEMBL21431120 0.75 — —
SCHEMBL21431242 0.75 HSD17B3 (0.31) MAPT

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-2019188717-A1 COMPOUND, RADICAL POLYMERIZATION INITIATOR, COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING CURED PRODUCT 株式会社ADEKA 2019-10-03 — — WO disclosed
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