SCHEMBL28335043

SCHEMBL28335043

CCCC[O].O=C=NC(Cc1ccc2ccc3cccc4ccc1c2c34)C(=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
▸ FAAH O00519 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28094779 0.89 KMT2A (0.50) KMT2AMEN1FAAHALDH1A1KDM4E
Water SCHEMBL28094441 0.88 KMT2A (0.49) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL27556801 0.78 CYP1A2 (0.41) KMT2AMEN1FAAHKDM4EHSD17B10
SCHEMBL30885174 0.74 CTNNB1 (0.52) KMT2AMEN1CYP1A2CYP2D6MAPT
SCHEMBL5527768 0.71 KMT2A (0.55) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL27881462 0.69 MAPT (0.34) PPARDMAPT
SCHEMBL28032035 0.69 MEN1 (0.44) KMT2AMEN1HPGDITGB1ITGA4
SCHEMBL28879239 0.69 KMT2A (0.55) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL1072482 0.69 KMT2A (0.55) KMT2AMEN1FAAHALDH1A1KDM4E
SCHEMBL22122444 0.69 KMT2A (0.55) 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 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 claimed
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