SCHEMBL29239063

SCHEMBL29239063

C#CCOCCN(CCOCC#C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL26925905 0.80 TSHR (0.48) TSHRBLMPMP22HSD17B10SLC1A3
SCHEMBL22609537 0.78 TSHR (0.51) TSHRNPC1HSD17B10
SCHEMBL17404764 0.76 BLM (0.59) TSHRBLMPMP22HSD17B10
SCHEMBL24920227 0.74 CA14 (0.40) TSHR
SCHEMBL21998069 0.73 TSHR (0.42) TSHRBLMPMP22HSD17B10
SCHEMBL26689142 0.73 TSHR (0.42) TSHRBLMPMP22HSD17B10
SCHEMBL21997018 0.73 TSHR (0.55) TSHR
SCHEMBL20366173 0.73 BLM (0.71) TSHRBLMPMP22HSD17B10
SCHEMBL26689436 0.72 TSHR (0.41) TSHRBLMPMP22HSD17B10
SCHEMBL19194672 0.72 TSHR (0.41) TSHRBLMPMP22HSD17B10

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
CN-117750982-A Coupling reagent and conjugate thereof 剑桥实业有限公司 2024-03-22 CN disclosed