SCHEMBL31233177

SCHEMBL31233177

O=C(/C=C/c1cccc(O)c1)c1ccc(OCC(=O)N2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.64
▸ NFE2L2 Q16236 8/20 0.64
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ P4HB P07237 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL25195089 1.00 KEAP1 (0.64) KEAP1NFE2L2NPC1RAB9AMAPT
SCHEMBL25198566 0.90 KEAP1 (0.67) KEAP1NFE2L2NPC1RAB9AMAPT
SCHEMBL30383525 0.90 KEAP1 (0.67) KEAP1NFE2L2NPC1RAB9AMAPT
SCHEMBL25219919 0.87 KEAP1 (0.64) KEAP1NFE2L2RAB9AMAPTHPGD
SCHEMBL25189351 0.83 KEAP1 (0.67) KEAP1NFE2L2NPC1RAB9AMAPT
SCHEMBL31233321 0.82 MEN1 (0.64) NPC1RAB9AMAPTP4HBPOLB
SCHEMBL25195879 0.82 MEN1 (0.64) NPC1RAB9AMAPTP4HBPOLB
SCHEMBL25192270 0.82 CXCL12 (0.65) KEAP1NFE2L2MAPTLMNA
SCHEMBL25196048 0.82 KEAP1 (0.56) KEAP1NFE2L2MAPTALDH1A1LMNA
SCHEMBL30382772 0.82 KEAP1 (0.56) KEAP1NFE2L2MAPTALDH1A1LMNA

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-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 — — WO disclosed
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