SCHEMBL28080502

SCHEMBL28080502

O=C(NC(O)C1CO1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 3/20 0.44
CTRB1 P17538 1/20 0.42
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC1 Q13547 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL6818170 0.76 CTRB1 (0.52) HPGDCTRB1RAB9A
SCHEMBL8620335 0.76 CTRB1 (0.52) HPGDCTRB1RAB9A
SCHEMBL6813638 0.76 CTRB1 (0.52) HPGDCTRB1RAB9A
SCHEMBL6170529 0.76 KMT2A (0.49) SLC1A2KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL6171268 0.75 RAB9A (0.53) KMT2AMAPTSMN1; SMN2TSHRLMNA
SCHEMBL5598241 0.75 RAB9A (0.53) KMT2AMAPTSMN1; SMN2TSHRLMNA
SCHEMBL5598470 0.75 RAB9A (0.53) KMT2AMAPTSMN1; SMN2TSHRLMNA
SCHEMBL301049 0.74 TDP1 (0.45) KMT2AMAPTSMN1; SMN2TSHRPOLB
SCHEMBL28118956 0.73 HDAC3 (0.56) SLC1A2KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL5908060 0.71 SLC1A2 (0.75) SLC1A2KMT2ASMN1; SMN2LMNAALDH1A1

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-104017152-B The manufacture method of stereocomplex polylactic acid resin composition and stereocomplex polylactic acid resin composition 三井化学株式会社 2016-06-29 CN disclosed