SCHEMBL13183250

SCHEMBL13183250

COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(N)=O)cc2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MDM2 Q00987 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACACA Q13085 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ ADAMTS5 Q9UNA0 2/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL30558303 1.00 KMT2A (0.42) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL1000962 0.92 KMT2A (0.45) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL29368397 0.92 KMT2A (0.45) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL31146900 0.92 KMT2A (0.45) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL1745934 0.92 KMT2A (0.45) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL14416300 0.92 KMT2A (0.42) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL29470540 0.92 KMT2A (0.45) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL3367289 0.92 KMT2A (0.45) KMT2AMEN1MDM2NPC1RAB9A
SCHEMBL12873284 0.91 LMNA (0.46) KMT2AMEN1MDM2LMNACASP3
SCHEMBL12555211 0.91 KMT2A (0.47) KMT2AMEN1MDM2CASP3ALDH1A1

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
CN-107440928-A Cosmetic composition for improving scalp health and method for producing the same 奥利博思高适美秀迪科思 2017-12-08 — — CN disclosed
EP-2226637-A1 Cross-linking agents on solid medium Centre National de la Recherche Scientifique (CNRS) (FR) 2010-09-08 — — EP disclosed
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