SCHEMBL16015578

SCHEMBL16015578

O[C@@]12CCCC[C@H]1COCC2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MET P08581 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL11967542 1.00 LMNA (0.35) LMNATSHRMETMAPTATM
SCHEMBL15827867 1.00 LMNA (0.35) LMNATSHRMETMAPTATM
SCHEMBL11967540 1.00 LMNA (0.35) LMNATSHRMETMAPTATM
SCHEMBL15416408 0.81 LMNA (0.36) LMNATSHRMETMAPTHSD17B10
SCHEMBL25399244 0.78 — —
SCHEMBL641967 0.77 TSHR (0.40) LMNATSHRMETMAPTATM
SCHEMBL4613762 0.77 TSHR (0.40) LMNATSHRMETMAPTATM
SCHEMBL9891 0.77 TSHR (0.40) LMNATSHRMETMAPTATM
SCHEMBL7572979 0.74 OPRM1 (0.43) LMNATSHRMETMAPTATM
SCHEMBL3711846 0.74 OPRM1 (0.43) LMNATSHRMETMAPTATM

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-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
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