SCHEMBL22537922

SCHEMBL22537922

CCC1OC(OC)C(NC(C)=O)C(OC(C)=O)C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.43
▸ MMP12 P39900 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LGALS3 P17931 4/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ LGALS8 O00214 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LGALS9 O00182 1/20 0.34

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
SCHEMBL24390609 1.00 MMP9 (0.43) MMP9MMP12LMNAKMT2AALDH1A1
SCHEMBL22296745 0.92 ALDH1A1 (0.39) MMP9MMP12LMNAKMT2AALDH1A1
SCHEMBL26351410 0.92 LMNA (0.46) MMP9MMP12LMNAKMT2AALDH1A1
SCHEMBL17932968 0.92 LMNA (0.46) MMP9MMP12LMNAKMT2AALDH1A1
SCHEMBL10261204 0.92 LMNA (0.46) MMP9MMP12LMNAKMT2AALDH1A1
SCHEMBL25763700 0.92 LMNA (0.46) MMP9MMP12LMNAKMT2AALDH1A1
SCHEMBL24645816 0.90 LMNA (0.48) MMP9MMP12LMNAKMT2AALDH1A1
SCHEMBL12021728 0.84 CYP2D6 (0.40) MMP9MMP12THRBLGALS8CYP2D6
SCHEMBL20109868 0.84 CYP2D6 (0.40) MMP9MMP12THRBLGALS8CYP2D6
SCHEMBL21562882 0.83 MAPK1 (0.41) MMP9MMP12LMNAKMT2AALDH1A1

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
EP-3137115-B1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS IONIS PHARMACEUTICALS INC (US) 2020-10-14 — — EP disclosed
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