SCHEMBL4046355

SCHEMBL4046355

CCCc1cccc(C(N)=[Se])c1CCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
HMGB1 P09429 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3352032 0.82 PARP1 (0.41) DAOGABRA1GABRB2LTB4RLTB4R2
SCHEMBL6314578 0.81 PARP1 (0.40) LTB4RLTB4R2HMGB1KDM4EALDH1A1
Charcoal, Activated SCHEMBL9341326 0.81 PARP1 (0.40) DAOGABRA1GABRB2LTB4RLTB4R2
Oxalic Acid SCHEMBL27731733 0.78 HMGB1 (0.38) LTB4RLTB4R2HMGB1KDM4EALDH1A1
SCHEMBL4045881 0.78 GABRA1 (0.43) GABRA1GABRB2HMGB1KDM4EALDH1A1
SCHEMBL12475620 0.76 PRKCI (0.42) DAOGABRA1GABRB2LTB4RLTB4R2
SCHEMBL6545712 0.76 CLCN2 (0.46) HMGB1ALDH1A1
SCHEMBL815968 0.76 IAPP (0.37) DAOGABRA1GABRB2LTB4RLTB4R2
SCHEMBL1452942 0.76 ALDH1A1 (0.41) DAOGABRA1GABRB2LTB4RLTB4R2
SCHEMBL28385326 0.76 NPC1 (0.40) LTB4RLTB4R2ALDH1A1KMT2A

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
JP-2009102243-A ACTIVE OXYGEN SCAVENGER IN LIVING CELL CHARACTERIZED BY CONTAINING SELENOAMIDE AND ITS USE GUNMA PREFECTURE 2009-05-14 JP disclosed