SCHEMBL28857962

SCHEMBL28857962

CCOC(=O)C(=Cc1ccc2ccccc2c1)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.54
NR1H4 Q96RI1 1/20 0.52
NPSR1 Q6W5P4 4/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL10414068 0.88 KMT2A (0.76) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10414069 0.88 KMT2A (0.76) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4778536 0.85 KMT2A (0.81) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL11688124 0.85 KMT2A (0.81) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4778528 0.85 KMT2A (0.81) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14047083 0.84 KMT2A (0.69) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14271668 0.83 KMT2A (0.64) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7534268 0.83 KMT2A (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7534264 0.83 KMT2A (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10501798 0.80 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1KDM4E

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-107805200-A Method for preparing α -alkyl- β -ketoester compounds 西华大学 2018-03-16 CN disclosed