SCHEMBL9735261

SCHEMBL9735261

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(N2CCCC2=O)=C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
CASP6 P55212 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP4 P49662 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 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
SCHEMBL9737951 0.85 PTGER1 (0.34) MALT1POLBKMT2AKDM4ETSHR
SCHEMBL9147582 0.85 KMT2A (0.40) NR1H4MALT1CASP6POLBAPEX1
SCHEMBL8345414 0.83 MALT1 (0.39) NR1H4MALT1CASP6POLBAPEX1
SCHEMBL9735762 0.83 ABCC9 (0.42) MALT1HTTCASP3TSHRSMN1; SMN2
SCHEMBL9737143 0.82 ALDH1A1 (0.36) POLBRAB9AKDM4ECASP3ALDH1A1
SCHEMBL9735458 0.82 NR1H4 (0.39) NR1H4MALT1CASP6POLBAPEX1
SCHEMBL9147881 0.78 NR1H4 (0.39) NR1H4MALT1CASP6POLBAPEX1
SCHEMBL9737279 0.78 CHRM2 (0.34) MALT1CASP6POLBKMT2AMEN1
SCHEMBL9144351 0.77 CASP6 (0.39) NR1H4MALT1CASP6POLBAPEX1
SCHEMBL9148890 0.77 MEN1 (0.38) NR1H4MALT1CASP6POLBAPEX1

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed