SCHEMBL31568944

SCHEMBL31568944

C[C@@H]1c2cc(O)nnc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ SMARCA2 P51531 2/20 0.35
▸ SMARCA4 P51532 2/20 0.35
▸ PBRM1 Q86U86 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GHSR Q92847 3/20 0.34
▸ TSHR P16473 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 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
SCHEMBL21470756 0.81 ESR2 (0.38) ESR2NR1H2SMN1; SMN2GHSRMAPT
SCHEMBL31505360 0.80 MAP4K4 (0.38) ESR2NR1H2NPC1MAPTMEN1
SCHEMBL31505424 0.80 MAP4K4 (0.38) ESR2NR1H2NPC1MAPTMEN1
SCHEMBL31569161 0.80 GPR119 (0.35) ALDH1A1NR1H2GHSRNPC1MAPT
SCHEMBL31568913 0.79 NR1H2 (0.34) NR1H2GHSR
SCHEMBL23415871 0.79 SMN1; SMN2 (0.41) ESR2ALDH1A1NR1H2SMN1; SMN2GHSR
SCHEMBL23868292 0.78 PARP1 (0.36) ALDH1A1NR1H2SMN1; SMN2NPC1MAPT
SCHEMBL23868294 0.78 PARP1 (0.36) ALDH1A1NR1H2SMN1; SMN2NPC1MAPT
SCHEMBL21594148 0.77 SMN1; SMN2 (0.41) ESR2ALDH1A1NR1H2SMN1; SMN2GHSR
SCHEMBL21470958 0.76 ELANE (0.35) NR1H2SMN1; SMN2GHSRELANEMAPT

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-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 — — WO disclosed
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