SCHEMBL8519948

SCHEMBL8519948

CCCCCOc1ccc(NC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 4/20 0.36
PPARG P37231 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GGPS1 O95749 2/20 0.36
S1PR2 O95136 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL7793579 0.84 KDM4E (0.43) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL20377227 0.84 FDPS (0.51) S1PR1S1PR3PPARGGGPS1S1PR2
SCHEMBL7793618 0.81 P4HTM (0.47) KDM4ERAB9ALMNASMN1; SMN2MAPT
SCHEMBL7793195 0.78 KDM4E (0.44) KDM4E
SCHEMBL7794298 0.78 FDPS (0.60) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL9223520 0.78 KDM4E (0.44) KDM4E
SCHEMBL6243007 0.78 MAPT (0.45) KDM4EPPARGLMNASMN1; SMN2MAPT
SCHEMBL7790648 0.74 KMT2A (0.49) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL9220494 0.74 KDM4E (0.39) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL9226173 0.74 KDM4E (0.39) KDM4ELMNAMAPTALDH1A1NFKB1

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
US-5866556-A BONE DISORDERS LEIRAS OY (FI) 1999-02-02 US disclosed