SCHEMBL17813091

SCHEMBL17813091

N[C@H](C=O)CC(=O)NCCC[C@H](O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.41
▸ GPR84 Q9NQS5 3/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ DDAH1 O94760 1/20 0.33
▸ TET2 Q6N021 3/20 0.32
▸ KDM4A O75164 2/20 0.32
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM2A Q9Y2K7 2/20 0.32
▸ TET3 O43151 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR1 P21453 1/20 0.30

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
SCHEMBL17449733 0.80 ALDH1A1 (0.36) OTCKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL20431156 0.78 ALDH1A1 (0.31) OTCALDH1A1
SCHEMBL20307714 0.76 GPR84 (0.50) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL17932835 0.74 CASP2 (0.53) —
SCHEMBL17932834 0.74 CASP2 (0.53) —
SCHEMBL24779309 0.73 CA5B (0.39) KMT2ASMN1; SMN2ALDH1A1MEN1TP53
SCHEMBL3347293 0.72 GPR84 (0.45) OTCGPR84FFAR1DDAH1TET2
SCHEMBL3346616 0.72 GPR84 (0.45) OTCGPR84FFAR1DDAH1TET2
SCHEMBL18125979 0.72 GPR84 (0.48) OTCGPR84FFAR1TET2KDM4A
SCHEMBL23152933 0.71 ALB (0.35) NOD1KMT2ASMN1; SMN2ALDH1A1HPGD

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
WO-2016148674-A1 CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2016-09-22 — — WO disclosed
WO-2016089879-A1 CONJUGATES OF GARFTASE INHIBITORS ENDOCYTE, INC. (US) 2016-06-09 — — WO disclosed
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