SCHEMBL28800652

SCHEMBL28800652

O=CC1C(O)OCCN1Cc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 6/20 0.41
ATM Q13315 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 5/20 0.41
POLB P06746 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL27887744 0.84 CYP2A13 (0.43) KDM4EKMT2AALDH1A1POLBSIRT2
SCHEMBL27993463 0.81 CYP2A13 (0.43) KDM4EKMT2AALDH1A1MEN1
SCHEMBL27871497 0.81 CYP2A13 (0.43) KDM4EKMT2AALDH1A1ATMMEN1
SCHEMBL27993464 0.80 SIRT2 (0.41) ALDH1A1NPSR1GAASIRT2SIRT1
SCHEMBL27887740 0.79 SMN1; SMN2 (0.47) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL27818451 0.78 MEN1 (0.41) KMT2AALDH1A1MEN1
SCHEMBL28120392 0.78 MEN1 (0.41) KMT2AALDH1A1MEN1
SCHEMBL27887733 0.78 HIF1A (0.42) KDM4EALDH1A1
SCHEMBL27871495 0.78 ACHE (0.45) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL27871494 0.77 MAPT (0.46) KDM4EKMT2AALDH1A1GAAMEN1

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-102675240-B 4-substitute-2-hydroxy morpholine-3-ketone and preparation method thereof ZHEJIANG HISUN PHARM CO LTD 2015-01-14 CN disclosed
CN-102675240-A 4-substitute-2-hydroxy morpholine-3-one and preparation method thereof ZHEJIANG HISUN PHARM CO LTD 2012-09-19 CN disclosed