SCHEMBL11036366

SCHEMBL11036366

CC(C)OC(=O)C(C#N)C(S)S.[KH]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 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
SCHEMBL10991321 0.98 TSHR (0.36) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL27810375 0.85 TSHR (0.42) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL7436520 0.81 TSHR (0.39) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL6928056 0.79 TSHR (0.37) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL6928051 0.79 TSHR (0.37) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL6928048 0.79 TSHR (0.37) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL2783538 0.73 SMN1; SMN2 (0.41) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL11442409 0.72 TSHR (0.42) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL7775457 0.72 TSHR (0.42) TSHRKDM4EALDH1A1MAPTMAPK1
SCHEMBL10991696 0.69 TSHR (0.43) TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59204187-A None JP disclosed
JP-S59204187-A DITHIOLANE DERIVATIVE, ITS USE AND ITS PREPARATION NIPPON NOHYAKU CO LTD 1984-11-19 JP disclosed