SCHEMBL28332899

SCHEMBL28332899

CCCCOC(=O)[C@H](Cc1ccc2ccc3cccc4ccc1c2c34)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ FNTA P49354 1/20 0.42
▸ PGGT1B P53609 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ MTNR1A P48039 3/20 0.35
▸ FAAH O00519 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 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
SCHEMBL28032572 1.00 KMT2A (0.44) KMT2AMEN1FNTAPGGT1BTACR1
SCHEMBL28032035 0.87 MEN1 (0.44) KMT2AMEN1ITGB1ITGA4MME
SCHEMBL15947341 0.78 TACR1 (0.43) KMT2AMEN1FNTAPGGT1BTACR1
SCHEMBL27515952 0.76 POLB (0.54) TACR1TDP1ALDH1A1L3MBTL1GAA
SCHEMBL8028858 0.73 KMT2A (0.46) KMT2AMEN1TDP1MTNR1AKDM4E
SCHEMBL28032573 0.72 MAPT (0.42) KMT2AMEN1ITGB1ITGA4TDP1
SCHEMBL28332900 0.72 MAPT (0.42) KMT2AMEN1ITGB1ITGA4TDP1
SCHEMBL19514720 0.71 CTSS (0.56) KMT2AMEN1PPARDPPARAITGB1
SCHEMBL19514694 0.71 CTSS (0.56) KMT2AMEN1PPARDPPARAITGB1
SCHEMBL19514698 0.71 CTSS (0.56) KMT2AMEN1PPARDPPARAITGB1

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
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 — — CN disclosed
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