SCHEMBL28409231

SCHEMBL28409231

C=Cc1cccc(C=C)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.32
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
SCHEMBL4070866 0.87 ALOX12 (0.42) ALDH1A1ALOX12TDP1CA2TSHR
SCHEMBL10898322 0.87 GABRA1 (0.36) ALDH1A1ALOX12TP53TDP1CA2
SCHEMBL11437773 0.85 ALDH1A1 (0.39) ALDH1A1ALOX12TDP1CA2TSHR
SCHEMBL10898891 0.82 GABRA1 (0.42) ALDH1A1
SCHEMBL2680287 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28652305 0.80 PNMT (0.34) ALDH1A1
SCHEMBL8991733 0.79 TTR (0.36) ALDH1A1ALOX12TDP1
SCHEMBL1733342 0.79 ALOX15 (0.42) ALDH1A1TDP1CA2TSHR
SCHEMBL6552615 0.78 PARP1 (0.39) ALDH1A1TSHR
SCHEMBL10900316 0.78 CYP3A4 (0.39)

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-107531028-B Transparent film, polarizing plate, and image display device 富士胶片株式会社 2020-03-20 CN disclosed