SCHEMBL22648528

SCHEMBL22648528

CCC[C@@H](CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.56
▸ SLC1A1 P43005 1/20 0.56
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ CTSL P07711 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ FOLH1 Q04609 1/20 0.46

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
SCHEMBL3319289 0.92 CTSL (0.56) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL1734009 0.92 CTSL (0.56) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL13434967 0.91 SIRT2 (0.53) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL3902571 0.91 SIRT2 (0.53) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL133032 0.91 SIRT2 (0.53) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL8054994 0.90 SIRT2 (0.55) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL3996467 0.89 SLC1A3 (0.54) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL3996470 0.89 SLC1A3 (0.54) SLC1A3SLC1A1LMNASMN1; SMN2SYK
SCHEMBL17865359 0.88 SLC1A3 (0.55) SLC1A3SLC1A1LMNASMN1; SMN2CTSK
SCHEMBL14985684 0.88 SLC1A3 (0.69) SLC1A3SLC1A1LMNASMN1; SMN2CTSL

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-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 — — WO disclosed
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