SCHEMBL11030484

SCHEMBL11030484

CCCCCCC[C@H]1CC[C@@H]2C[C@H](C3CCC(C(=O)CC)CC3)CC[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR2 P41597 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ALOX5 P09917 1/20 0.37
TLR4 O00206 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LSS P48449 2/20 0.34

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
SCHEMBL11028782 0.98 PKM (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11034036 0.94 POLB (0.42) HTTMEN1KMT2ATP53PKM
SCHEMBL11033011 0.91 MEN1 (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11029323 0.90 PKM (0.42) HTTMEN1KMT2ATP53PKM
SCHEMBL11029534 0.90 CYP1A2 (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL13267652 0.89 PKM (0.51) HTTMEN1KMT2ATP53PKM
SCHEMBL30846925 0.88 HTT (0.45) HTTMEN1KMT2ATP53PKM
SCHEMBL11026807 0.87 TLR4 (0.46) HTTMEN1KMT2APKMCYP1A2
SCHEMBL11030666 0.86 PKM (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL13267742 0.85 HTT (0.56) HTTMEN1KMT2ATP53PKM

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
US-4432885-A Decalins HOFFMANN-LA ROCHE INC. (US) 1984-02-21 US disclosed