SCHEMBL30387993

SCHEMBL30387993

COc1c(NCCO)cc(C)cc1NC(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
GLA P06280 2/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.32
GAA P10253 4/20 0.32
MAPK1 P28482 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.31
BMPR1B O00238 1/20 0.31
STK16 O75716 1/20 0.31
ABL1 P00519 1/20 0.31
FLT3 P36888 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
DMPK Q09013 1/20 0.31
MAP2K5 Q13163 1/20 0.31

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
SCHEMBL111335 0.87 KDM4E (0.41) KDM4EGLAALDH1A1LMNAMAPT
SCHEMBL5550162 0.80 ALDH1A1 (0.36) KDM4EGLAALDH1A1LMNAMAPT
SCHEMBL15933506 0.77 KDM4E (0.36) KDM4EGLAALDH1A1LMNAMAPT
SCHEMBL15058573 0.74 CTSL (0.31) ALDH1A1BMPR1BSTK16ABL1FLT3
SCHEMBL5176527 0.74 KDM4E (0.41) KDM4EGLAALDH1A1HTTGAA
SCHEMBL15058572 0.73 ALDH1A1 (0.38) KDM4EGLAALDH1A1LMNAMAPT
SCHEMBL5158783 0.71 KDM4E (0.39) KDM4EGLAALDH1A1HTTGAA
SCHEMBL6261612 0.71 TP53 (0.39) KDM4EGLAALDH1A1LMNAGAA
SCHEMBL11822323 0.70 MAPT (0.58) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL108260 0.69 ALDH1A1 (0.42) KDM4EGLAALDH1A1LMNAMAPT

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-112469389-B Amine-based reaction products as functional additives 汉高股份有限及两合公司 2023-06-20 CN disclosed