SCHEMBL20066976

SCHEMBL20066976

CCCCOC(=O)NCC1(C)CC(NC(=O)OCCC)CC(C)(C)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 13/20 0.38
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 0.97 TSHR (0.67) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL19975633 0.96 TSHR (0.66) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL1021940 0.95 TSHR (0.71) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL983174 0.94 TSHR (0.66) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL47727 0.93 TSHR (0.62) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL1954247 0.93 TSHR (0.64) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL1953272 0.93 TSHR (0.64) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL980008 0.93 TSHR (0.64) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL22627333 0.93 TSHR (0.64) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL1953152 0.93 TSHR (0.64) TSHRGAAMAPK1HTTSMN1; SMN2

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-20180104921-A1 BIOMEDICAL DEVICE BATTERIES WITH ELECTRODEPOSITED CATHODES JOHNSON & JOHNSON VISION CARE, INC. 2018-04-19 US disclosed