SCHEMBL5748698

SCHEMBL5748698

C=Cc1ccccc1C12CCC(CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3049402 0.73 ALOX5AP (0.37) ALDH1A1
Vinyl Ether SCHEMBL15348794 0.72 HDAC4 (0.32)
SCHEMBL7632016 0.72 KDM1A (0.35) ALDH1A1
SCHEMBL3965380 0.70 ERN1 (0.44)
SCHEMBL3630843 0.69 SLC6A3 (0.44) ALDH1A1
SCHEMBL23700153 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21409852 0.67 CD44 (0.34) ALDH1A1
SCHEMBL28394956 0.66 ALDH1A1 (0.40) ALDH1A1
SCHEMBL677548 0.66 HSD11B1 (0.36) ALDH1A1
SCHEMBL547455 0.66 MEN1 (0.43) ALDH1A1

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-1673319-A1 NOVEL METHOD FOR PREPARING STYRENIC OLEFINS LG Chem. Ltd. (KR) 2006-06-28 EP disclosed
WO-2005035468-A1 NOVEL METHOD FOR PREPARING STYRENIC OLEFINS LG CHEM. LTD. (KR) 2005-04-21 WO disclosed