SCHEMBL29649566

SCHEMBL29649566

CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ADAM10 O14672 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ ADAM8 P78325 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ SIRT1 Q96EB6 3/20 0.37
▸ SIRT2 Q8IXJ6 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FURIN P09958 3/20 0.34
▸ C3AR1 Q16581 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL26026727 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ADAM10MMP2MMP9MMP12
SCHEMBL25357504 0.89 SIRT1 (0.41) SMN1; SMN2ADAM10MMP2MMP9MMP12
SCHEMBL25357515 0.89 SIRT1 (0.41) SMN1; SMN2ADAM10MMP2MMP9MMP12
SCHEMBL26026883 0.88 SIRT1 (0.38) SIRT1SIRT2MAPTHTTCA1
SCHEMBL29649497 0.88 SIRT1 (0.43) ADAM10MMP2MMP9MMP12MMP14
SCHEMBL21597895 0.87 SIRT2 (0.37) SMN1; SMN2SIRT1SIRT2NPC1RAB9A
SCHEMBL21597894 0.87 SIRT2 (0.37) SMN1; SMN2SIRT1SIRT2NPC1RAB9A
SCHEMBL23962289 0.85 MAPT (0.47) SMN1; SMN2SIRT1MAPTHTTALDH1A1
SCHEMBL26026725 0.84 LTA4H (0.42) SMN1; SMN2ADAM10MMP2MMP9MMP12
SCHEMBL21859193 0.82 PLAU (0.42) SMN1; SMN2MMP2SIRT1SIRT2MAPT

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-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 — — EP disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 — — WO disclosed
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