SCHEMBL27898321

SCHEMBL27898321

O=C(OCCO)Oc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TYMS P04818 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ ELANE P08246 1/20 0.35
▸ ERBB2 P04626 1/20 0.33

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
SCHEMBL21599112 0.84 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL27915920 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL1275825 0.78 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL8064322 0.78 IDO1 (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL28077405 0.77 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL8067969 0.76 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5246333 0.76 KMT2A (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL27625620 0.76 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5246326 0.76 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL16617240 0.75 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E

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-103041857-A Preparation method of graphite nano-plate-loaded nano-noble metal catalyst UNIV TIANJIN 2013-04-17 — — CN disclosed
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