SCHEMBL31604575

SCHEMBL31604575

Cc1oc2ccc(CC3CCOCC3)cc2c1C(=O)N[C@@](C)(CO)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ POLB P06746 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ SLC26A4 O43511 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ LMNA P02545 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ BLM P54132 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL31604586 0.96 GAA (0.42) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL31604605 0.93 GAA (0.39) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL31604534 0.89 GAA (0.37) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL31604563 0.89 GAA (0.39) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL31604969 0.89 GAA (0.39) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL31604624 0.89 GAA (0.39) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL31604545 0.87 GAA (0.37) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL31604632 0.86 GAA (0.37) GAAPOLBSMN1; SMN2ALDH1A1HIF1A
SCHEMBL31604541 0.84 GAA (0.39) GAAPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL31604593 0.82 MEN1 (0.39) NPC1RAB9AGAAPOLBSMN1; SMN2

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-2025111414-A1 TRPM3-MODULATING BENZOFURAN DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO claimed
WO-2025111414-A1 TRPM3-MODULATING BENZOFURAN DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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