SCHEMBL19975633

SCHEMBL19975633

CCCCOC(=O)NCC1(C)CC(NC(=O)OCCOC(=O)NC2CC(C)(C)CC(C)(CNC(=O)OCCCC)C2)CC(C)(C)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
ACHE P22303 13/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 2/20 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
SCHEMBL1022208 0.99 TSHR (0.67) TSHRACHEGAAMAPK1HTT
SCHEMBL20066976 0.96 TSHR (0.64) TSHRACHEGAAMAPK1HTT
SCHEMBL15362613 0.95 TSHR (0.60) TSHRACHEGAAMAPK1HTT
SCHEMBL983174 0.95 TSHR (0.66) TSHRACHEGAAMAPK1HTT
SCHEMBL1840972 0.94 TSHR (0.62) TSHRACHEGAAMAPK1HTT
SCHEMBL47727 0.94 TSHR (0.62) TSHRACHEGAAMAPK1HTT
SCHEMBL980008 0.94 TSHR (0.64) TSHRACHEGAAMAPK1HTT
SCHEMBL22627333 0.94 TSHR (0.64) TSHRACHEGAAMAPK1HTT
SCHEMBL1954247 0.94 TSHR (0.64) TSHRACHEGAAMAPK1HTT
SCHEMBL1953152 0.94 TSHR (0.64) TSHRACHEGAAMAPK1HTT

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-9923177-B2 Biocompatibility of biomedical energization elements JOHNSON & JOHNSON VISION CARE, INC. (US) 2018-03-20 US disclosed