SCHEMBL9843543

SCHEMBL9843543

Cc1cc(Oc2ccccc2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ XDH P47989 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TLR4 O00206 3/20 0.44
▸ TLR2 O60603 3/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPRT1 P00492 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL30072571 0.79 HSD17B10 (0.52) ALDH1A1TDP1MAPTNPSR1TLR4
SCHEMBL25191976 0.79 TDP1 (0.47) ALDH1A1TDP1XDHMAPTATM
SCHEMBL443483 0.79 HSD17B10 (0.52) ALDH1A1TDP1MAPTNPSR1TLR4
SCHEMBL6491051 0.79 MAPT (0.56) ALDH1A1TDP1MAPTNPSR1MEN1
SCHEMBL28940780 0.79 HTT (0.48) ALDH1A1TDP1NPSR1TSHRHTT
SCHEMBL11126859 0.79 ALDH1A1 (0.52) ALDH1A1TDP1XDHMAPTATM
SCHEMBL18956918 0.79 HSPB1 (0.44) ALDH1A1TDP1XDHMAPTATM
SCHEMBL30218255 0.78 KMT2A (0.60) ALDH1A1TDP1XDHMAPTMEN1
SCHEMBL8903443 0.77 MAPT (0.49) ALDH1A1TDP1MAPTATMTLR4
SCHEMBL2271210 0.76 SMN1; SMN2 (0.54) ALDH1A1XDHMAPTNPSR1TLR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 — — EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 — — EP disclosed
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