SCHEMBL13669348

SCHEMBL13669348

COc1ccc(C(OC[C@@H]2C[C@@H](OP(C)N(C(C)C)C(C)C)CN2C(=O)Cc2cc3nc4ccc(OC(=O)C(C)(C)C)cc4oc-3cc2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
S1PR4 O95977 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
S1PR1 P21453 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
APP P05067 2/20 0.31
ITGA4 P13612 2/20 0.30
ITGB1 P05556 1/20 0.30

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
SCHEMBL4017592 0.82 KDM4E (0.34) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL13709738 0.75 KDM4E (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL13003125 0.75 KDM4E (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4013952 0.73 APP (0.31) APP
SCHEMBL13669345 0.73
SCHEMBL6394599 0.72
SCHEMBL4017490 0.72
SCHEMBL4359986 0.71 ITGA4 (0.33) NPC1RAB9AAPPITGA4ITGB1
SCHEMBL6394604 0.69
SCHEMBL13669347 0.69 KMT2A (0.36) KDM4ENPC1ALDH1A1HPGDRAB9A

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
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed