SCHEMBL28094778

SCHEMBL28094778

O=CN[C@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ FAAH O00519 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ MME P08473 2/20 0.37
▸ ACE P12821 2/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CTNNB1 P35222 1/20 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
SCHEMBL3658961 0.81 HRH4 (0.54) KMT2AMEN1MAPTHRH4MME
SCHEMBL1072482 0.77 KMT2A (0.55) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL22122444 0.77 KMT2A (0.55) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL28879239 0.77 KMT2A (0.55) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL5527768 0.77 KMT2A (0.55) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL19514694 0.75 CTSS (0.56) KMT2AMEN1ACEPPARDPPARA
SCHEMBL19514720 0.75 CTSS (0.56) KMT2AMEN1ACEPPARDPPARA
Pyrene SCHEMBL28035477 0.75 PIN1 (0.35) KMT2AMEN1EPHX1
SCHEMBL19514698 0.75 CTSS (0.56) KMT2AMEN1ACEPPARDPPARA
SCHEMBL17903512 0.73 KMT2A (0.51) KMT2AMEN1FAAHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105860595-B A kind of graphene of hyperbranched poly triazole functionalization and preparation method thereof 华中科技大学 2017-11-14 — — CN claimed
CN-105860595-A Hyperbranched-polytriazole-functionalized graphene and preparation method thereof 华中科技大学 2016-08-17 — — CN claimed
CN-105860595-B A kind of graphene of hyperbranched poly triazole functionalization and preparation method thereof 华中科技大学 2017-11-14 — — CN disclosed
CN-105860595-A Hyperbranched-polytriazole-functionalized graphene and preparation method thereof 华中科技大学 2016-08-17 — — CN disclosed
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