SCHEMBL9488706

SCHEMBL9488706

C=CC(=O)C1(C(=O)C(=C)C)CC(=O)NC1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7157484 0.68 TSHR (0.31) TSHRNPSR1
Succinimide SCHEMBL28572895 0.57 CRBN (0.44) TSHR
Acetic Acid SCHEMBL3681508 0.57 TSHR (0.43) TSHRNPSR1
SCHEMBL376717 0.57 TSHR (0.43) TSHRNPSR1
SCHEMBL27992207 0.56 TSHR (0.37) TSHRNPSR1
SCHEMBL10575291 0.56 TSHR (0.38) TSHRNPSR1
Thiobarbituric SCHEMBL10942405 0.55 ITGB3 (0.38)
SCHEMBL3189534 0.55 TSHR (0.36) TSHRNPSR1
Succinimide SCHEMBL73277 0.55 CRBN (0.52)
Barbituric Acid SCHEMBL9501277 0.54 ITGB3 (0.40)

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-5113551-A None JP disclosed
JP-H05113551-A SOFT CONTACT LENS SEIKO EPSON CORP 1993-05-07 JP disclosed