SCHEMBL904038

SCHEMBL904038

NCC(S)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.56
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.42
SHBG P04278 1/20 0.39
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
IDO1 P14902 1/20 0.32

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
SCHEMBL23082587 0.97
SCHEMBL21912822 0.86
SCHEMBL9717438 0.78 EPHX1 (0.62) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL11834390 0.76 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL13619070 0.74 SHBG (0.56) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL6447100 0.74 EPHX1 (0.39) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL635367 0.72 EPHX1 (1.00) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL4379254 0.72 EPHX1 (0.62) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL11698385 0.70
SCHEMBL21656667 0.70 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA

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
WO-2012041253-A1 COMPOUNDS FOR INCREASE OF HDL-C LEVEL AND USES THEREOF ZHEJIANG BETA PHARMA INC. (CN) 2012-04-05 WO disclosed