SCHEMBL7564252

SCHEMBL7564252

C=CCONC(=O)C(C)=CC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1100509 0.82 MAPT (0.35) MAPTCACNA1BAPBA1ALDH1A1TSHR
SCHEMBL873545 0.79
SCHEMBL27637341 0.78 MAPT (0.37) MAPTCACNA1BAPBA1ALDH1A1TSHR
SCHEMBL5530160 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9442160 0.77 MAPT (0.37) MAPTCACNA1BAPBA1ALDH1A1TSHR
SCHEMBL9344878 0.74 TSHR (0.37) MAPTCACNA1BAPBA1ALDH1A1TSHR
SCHEMBL1531006 0.73 TSHR (0.36) ALDH1A1TSHR
SCHEMBL27654151 0.73 CNR2 (0.33) ALDH1A1
SCHEMBL873544 0.72
SCHEMBL694328 0.72

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-20020011281-A1 ZINC PHOSPHATING WITH INTEGRATED SUBSEQUENT PASSIVATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2002-01-31 US disclosed