SCHEMBL19622305

SCHEMBL19622305

CCOC(=O)c1ccc(Oc2ccc(P)c(CO)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.41
USP2 O75604 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 1/20 0.39
HSD17B2 P37059 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7488349 0.79 KMT2A (0.67) KMT2AMEN1USP2RAB9ANPC1
SCHEMBL2529968 0.79 UCHL1 (0.45) KMT2AMEN1MAPTUSP2RAB9A
SCHEMBL14748469 0.77 KMT2A (0.36) KMT2AMEN1MAPTUSP2RAB9A
SCHEMBL11994561 0.73 ERN1 (0.48) KMT2AMEN1MAPTUSP2RAB9A
SCHEMBL2531277 0.73 ERN1 (0.48) KMT2AMEN1MAPTUSP2RAB9A
SCHEMBL1546951 0.72 KMT2A (0.57) KMT2AMEN1MAPTUSP2RAB9A
SCHEMBL9826483 0.72 KMT2A (0.52) KMT2AMEN1MAPTUSP2RAB9A
SCHEMBL14748429 0.70 PTGS2 (0.43) KMT2AMEN1USP2RAB9ANPC1
SCHEMBL11833586 0.70 CA12 (0.50) KMT2AMEN1MAPTUSP2DPP4
SCHEMBL4551259 0.70 HPGD (0.57) KMT2AMEN1MAPTRAB9ANPC1

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
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed