SCHEMBL28115449

SCHEMBL28115449

CCCCCCCCCCCCCCCCCCCCCCOOCC(O)CO

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
HTT P42858 2/20 0.47
PLA2G2C Q5R387 1/20 0.44
DGKA P23743 1/20 0.44
LPAR5 Q9H1C0 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
FAAH O00519 2/20 0.39
CNR2 P34972 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
SCHEMBL113021 1.00 USP2 (0.69) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL93726 1.00 USP2 (0.69) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL20743365 1.00 USP2 (0.69) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL1752698 1.00 USP2 (0.69) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL26496284 1.00 USP2 (0.69) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL14714348 1.00 USP2 (0.69) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL344684 1.00 USP2 (0.69) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL27710759 0.98 USP2 (0.66) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL4248977 0.92 USP2 (0.57) USP2MEN1KMT2ALMNAKDM4E
SCHEMBL4384489 0.90 DGKA (0.58) USP2MEN1KMT2ALMNADGKA

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-106333927-A Modified-release nicergoline composition 昆山龙灯瑞迪制药有限公司 2017-01-18 CN disclosed