SCHEMBL4608409

SCHEMBL4608409

COC(C)(C)c1c[c]ccc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL28838178 0.82 ALDH1A1 (0.57) MAPK1ALDH1A1ALOX15
SCHEMBL27592700 0.81
SCHEMBL28577646 0.80 MAPK1 (0.48) MAPK1ALDH1A1ALOX15
SCHEMBL5838774 0.78 ESR1 (0.38) MAPK1ALDH1A1ALOX15
SCHEMBL24702 0.78 TSHR (0.35) MAPK1ALDH1A1ALOX15
SCHEMBL28820080 0.78 KCNN4 (0.30)
SCHEMBL28668951 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11091542 0.76 CYP19A1 (0.37) MAPK1ALDH1A1ALOX15
SCHEMBL28014690 0.74 KIF11 (0.44) MAPK1
SCHEMBL1243645 0.74 PDE2A (0.34) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178035-B1 Fungicidal phenylimine derivatives BAYER CROPSCIENCE SA (FR) 2008-07-30 EP disclosed
EP-1180512-A1 Fungicidal phenylimine derivatives AVENTIS CROPSCIENCE S.A. (FR) 2002-02-20 EP disclosed
EP-1178035-A1 Fungicidal phenylimine derivatives AVENTIS CROPSCIENCE S.A. (FR) 2002-02-06 EP disclosed