SCHEMBL28077405

SCHEMBL28077405

O=C(CCCO)Oc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.38
▸ CNR2 P34972 4/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ RECQL P46063 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PIN1 Q13526 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
SCHEMBL17603604 0.91 KMT2A (0.51) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL28188967 0.87 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL4434426 0.86 POLM (0.48) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL38211 0.85 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1422224 0.85 POLM (0.50) KMT2AMEN1KDM4ECNR2CNR1
SCHEMBL9102933 0.85 POLM (0.50) KMT2AMEN1KDM4ECNR2CNR1
SCHEMBL4966094 0.85 POLM (0.50) KMT2AMEN1KDM4ECNR2CNR1
SCHEMBL27915920 0.84 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29272543 0.84 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29272544 0.84 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020593-A A kind of elasticity refractory ceramics thermal insulation tile and preparation method thereof 佛山皖和新能源科技有限公司 2018-12-18 — — CN disclosed
CN-104262626-B A kind of method of synthesis of polyhydroxy fluorescent polymer 浙江大学 2016-08-24 — — CN disclosed
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