SCHEMBL31164289

SCHEMBL31164289

COc1ccc(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ ACHE P22303 1/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ CES2 O00748 2/20 0.58
▸ CES1 P23141 2/20 0.58
▸ RAB9A P51151 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ ALOX5 P09917 1/20 0.54
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ ELANE P08246 2/20 0.51

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
SCHEMBL4402837 0.95 HPGD (0.56) HPGDKDM4EACHEKMT2ACES2
SCHEMBL14665302 0.94 CES2 (0.56) HPGDKDM4EACHEKMT2ACES2
SCHEMBL19879308 0.93 KMT2A (0.63) HPGDACHEKMT2ACES2CES1
SCHEMBL126281 0.90 HPGD (0.51) HPGDKDM4EACHEKMT2ACES2
SCHEMBL11992482 0.90 HPGD (0.51) HPGDKDM4EACHEKMT2ACES2
SCHEMBL13837160 0.90 HPGD (0.51) HPGDKDM4EACHEKMT2ACES2
SCHEMBL12012642 0.90 HPGD (0.51) HPGDKDM4EACHEKMT2ACES2
SCHEMBL9806081 0.88 ACHE (0.61) HPGDKDM4EACHEKMT2ACES2
SCHEMBL12012656 0.86 ALOX5 (0.50) HPGDKDM4EACHEKMT2ACES2
SCHEMBL2623414 0.86 ALOX5 (0.50) HPGDKDM4EACHEKMT2ACES2

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
EP-4692072-A1 PHOTOCHROMIC COMPOUND, PROPARGYL ALCOHOL COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND SPECTACLES TOKUYAMA CORPORATION (JP) 2026-02-11 — — EP disclosed
WO-2024202087-A1 PHOTOCHROMIC COMPOUND, PROPARGYL ALCOHOL COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND SPECTACLES 株式会社トクヤマ 2024-10-03 — — WO disclosed
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