SCHEMBL31498020

SCHEMBL31498020

CC(C)(C)OC(=O)c1cccc(C[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ BACE1 P56817 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18359864 0.79 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8472422 0.79 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8472423 0.79 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL7437352 0.77 HSD17B10 (0.45) SLC7A5ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7362550 0.77 LMNA (0.49) SLC7A5ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8359320 0.76 HDAC3 (0.44) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL15876121 0.76 SLC7A5 (0.43) SLC7A5ALDH1A1LMNARAB9AKMT2A
SCHEMBL7824775 0.75 GHSR (0.48) SLC7A5ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8483052 0.75 GHSR (0.48) SLC7A5ALDH1A1LMNAPOLBHSD17B10
SCHEMBL25357006 0.75 SLC7A5 (0.51) SLC7A5FOLH1

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
CN-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 — — CN disclosed
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