SCHEMBL10845929

SCHEMBL10845929

CCCCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)OCC)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR2 P41597 1/20 0.39

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
SCHEMBL10845925 1.00 MEN1 (0.48) MEN1KMT2AHTTTP53PKM
SCHEMBL10847193 0.98 PKM (0.47) MEN1KMT2AHTTTP53PKM
SCHEMBL10847189 0.98 PKM (0.47) MEN1KMT2AHTTTP53PKM
SCHEMBL10844424 0.94 MAPT (0.47) MEN1KMT2AHTTPKMCYP1A2
SCHEMBL10844426 0.94 MAPT (0.47) MEN1KMT2AHTTPKMCYP1A2
SCHEMBL11498372 0.94 PKM (0.50) MEN1KMT2AHTTTP53PKM
SCHEMBL11498373 0.94 PKM (0.50) MEN1KMT2AHTTTP53PKM
SCHEMBL10850727 0.90 HTT (0.47) MEN1KMT2AHTTTP53PKM
SCHEMBL10846172 0.90 HTT (0.47) MEN1KMT2AHTTTP53PKM
SCHEMBL10846176 0.90 HTT (0.47) MEN1KMT2AHTTTP53PKM

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-4617140-A Bicyclohexyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed