SCHEMBL7511344

SCHEMBL7511344

CC1(C)C=CC(=O)CCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
CYP19A1 P11511 5/20 0.33
ALDH1A1 P00352 4/20 0.31
LMNA P02545 3/20 0.31
SHBG P04278 2/20 0.31
SERPINA6 P08185 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B3 P37058 2/20 0.31
SNCA P37840 2/20 0.31
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SRD5A1 P18405 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
SCHEMBL12687982 0.74
SCHEMBL24483574 0.74
SCHEMBL9541235 0.71 ALDH1A1 (0.41) ALOX5ALDH1A1CYP3A4
SCHEMBL4414093 0.71 CYP19A1 (0.31) ALOX5CYP19A1
SCHEMBL13537199 0.71 ALOX5 (0.33) ALOX5
SCHEMBL3047562 0.71 ALOX5 (0.33) ALOX5CYP19A1LMNA
SCHEMBL15464308 0.70
SCHEMBL9140299 0.70
SCHEMBL2598731 0.70 ALOX5 (0.35) ALOX5ALDH1A1LMNACYP3A4
SCHEMBL13486703 0.70 ALOX5 (0.32) ALOX5

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
EP-1204643-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-05-15 EP disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed