SCHEMBL9398373

SCHEMBL9398373

CCC[C@H]1CC[C@H](CCCCc2ccc(-c3ccc(O[C@H](C)C(=O)OCC)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RARB P10826 3/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ PPARA Q07869 1/20 0.36
▸ CTSD P07339 1/20 0.36

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
SCHEMBL9398644 0.96 LMNA (0.45) LMNAL3MBTL1EPHX2KMT2AMAPT
SCHEMBL9191902 0.89 RARB (0.42) KMT2AMAPTMEN1RARBITGB3
SCHEMBL9017496 0.84 RARB (0.52) LMNAL3MBTL1EPHX2KMT2AMAPT
SCHEMBL9590506 0.83 LMNA (0.48) LMNAL3MBTL1KMT2AMAPTMEN1
SCHEMBL9590499 0.83 LMNA (0.48) LMNAL3MBTL1KMT2AMAPTMEN1
SCHEMBL10363481 0.79 CYP2C9 (0.53) LMNAL3MBTL1EPHX2KMT2AMAPT
SCHEMBL10363482 0.79 CYP2C9 (0.53) LMNAL3MBTL1EPHX2KMT2AMAPT
SCHEMBL12611654 0.77 LMNA (0.61) LMNAL3MBTL1EPHX2KMT2AMAPT
SCHEMBL9063261 0.77 LMNA (0.63) LMNAL3MBTL1EPHX2KMT2AMAPT
SCHEMBL9857703 0.77 LMNA (0.63) LMNAL3MBTL1EPHX2KMT2AMAPT

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-5346647-A Cyclohexane compounds used in liquid crystalline mixtures HOFFMANN-LA ROCHE INC. (US) 1994-09-13 — — US disclosed
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