SCHEMBL9735458

SCHEMBL9735458

COCC1(C)C=C(N2CCCC2=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 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
RAB9A P51151 2/20 0.35
MALT1 Q9UDY8 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP4 P49662 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
NCOA1 Q15788 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL9735249 0.85 POLB (0.33) KMT2AMEN1POLBMALT1KDM4E
SCHEMBL10757454 0.84 CASP6 (0.40) NR1H4KMT2AMEN1CASP6POLB
SCHEMBL9201653 0.82 NR1H4 (0.37) NR1H4KMT2AMEN1CASP6POLB
SCHEMBL9735603 0.82 PDE4A (0.44) MALT1CASP3
SCHEMBL9735371 0.82 ALDH1A1 (0.37) POLBRAB9AKDM4ECASP3ALDH1A1
SCHEMBL9735261 0.82 NR1H4 (0.38) NR1H4KMT2AMEN1CASP6POLB
SCHEMBL8120777 0.81 CASP6 (0.37) NR1H4KMT2AMEN1CASP6POLB
SCHEMBL9204440 0.80 NR1H4 (0.35) NR1H4KMT2AMEN1CASP6POLB
SCHEMBL8123714 0.78 CASP6 (0.37) NR1H4KMT2AMEN1CASP6POLB
SCHEMBL9735809 0.77 MEN1 (0.35) KMT2AMEN1CASP6POLBTDP1

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