SCHEMBL20258440

SCHEMBL20258440

CN[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(C)O)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HDAC2 Q92769 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HTT P42858 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KLK7 P49862 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TPSAB1 Q15661 2/20 0.34
▸ PLG P00747 1/20 0.34
▸ PRSS1 P07477 1/20 0.34

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
SCHEMBL19372449 0.89 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHDAC2MEN1
SCHEMBL18494908 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18499692 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23054325 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL24279731 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23054326 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15382668 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL20056881 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14870877 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18431280 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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
WO-2018107116-A1 METHODS OF REDUCING TOXICITY OF ANTIBODY DRUG CONJUGATES, AND COMPOSITIONS PRODUCED THEREBY ABBVIE STEMCENTRX LLC (US) 2018-06-14 — — WO disclosed
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