SCHEMBL7860715

SCHEMBL7860715

COc1ccc(C(NC(=O)OCc2cccc3c2Cc2ccccc2-3)c2ccc(O)cc2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ HTT P42858 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL31429573 0.92 KMT2A (0.41) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL17192730 0.80 KMT2A (0.45) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL8410923 0.80 KMT2A (0.45) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL8769214 0.79 SRD5A1 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL30079703 0.79 PNMT (0.40) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL30079659 0.76 PNMT (0.41) RAB9ANPC1
SCHEMBL12555211 0.75 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL7984404 0.74 PNMT (0.38) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL23118169 0.74 ITGB3 (0.48) KMT2AATM
SCHEMBL10418084 0.73 CD274 (0.41) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228841-B1 N-METHYLTYROSINE-ARGININE-PHENYLALANINE-N-METHYL-B-ALANINE OR ITS SALT; ANALGESIC FOR CANCER PAIN DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-05-08 — — US disclosed
EP-0861849-A1 PEPTIDE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 — — EP disclosed
EP-0850950-A1 PEPTIDE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-07-01 — — EP disclosed
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