SCHEMBL15988486

SCHEMBL15988486

BOC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 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
SCHEMBL8966547 0.97 EPHX1 (0.32) EPHX1SHBG
SCHEMBL11055346 0.75 EPHX1 (0.39) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL22911659 0.73
SCHEMBL8620129 0.71 SHBG (0.42) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL20492121 0.71 SHBG (0.42) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL25082862 0.71 IDO1 (0.43) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL4770093 0.71 ALDH1A1 (0.38) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL3959481 0.71 EPHX1 (0.36) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL8620310 0.69 SHBG (0.40) EPHX1SHBGTP53
SCHEMBL4185012 0.69 EPHX1 (0.35) EPHX1SHBGTP53KDM4EGMNN

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
EP-2298745-B1 PREPARATION METHOD OF ROSUVASTATIN CALCIUM AND ITS INTERMEDIATES CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2014-09-03 EP claimed