SCHEMBL27619476

SCHEMBL27619476

C=Cc1ccccc1-c1ccccc1C=CCC

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL982307 0.86 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL982304 0.86 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL1471407 0.78 BACE1 (0.43)
SCHEMBL1024642 0.78 BACE1 (0.43)
SCHEMBL132630 0.78 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1
SCHEMBL23521561 0.78 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL688770 0.77 HTR2A (0.43) ALDH1A1TSHR
SCHEMBL7541476 0.76 PDCD1 (0.33) ALDH1A1
SCHEMBL7107668 0.76 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1
SCHEMBL4516980 0.74 CSNK2A2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1685005-A Oxygen-absorbing resin composition and laminate TOYO SEIKAN KAISHA LTD (JP) 2005-10-19 CN disclosed