SCHEMBL29408558

SCHEMBL29408558

CCN1C=C(C)CN(CC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
CTRC Q99895 1/20 0.31
DHFR P00374 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
SCHEMBL6363207 0.66 F2 (0.41) F2ELANECTSGCTRC
SCHEMBL28675006 0.65 F2 (0.32) F2ELANECTSGCTRC
SCHEMBL14423078 0.62
SCHEMBL805482 0.62 ALDH1A1 (0.33)
SCHEMBL19923761 0.61 F2 (0.32) F2ELANECTSGCTRC
SCHEMBL418457 0.61 F2 (0.36) F2ELANECTSGCTRC
SCHEMBL417344 0.61 F2 (0.48) F2ELANECTSGCTRC
SCHEMBL329869 0.60 F2 (0.45) F2ELANECTSGCTRC
SCHEMBL16805243 0.60
SCHEMBL19546254 0.60 F2 (0.38) F2ELANECTSGCTRC

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-109562025-B Powder-liquid type inner material for denture base 株式会社德山齿科 2022-03-22 CN disclosed