SCHEMBL7082497

SCHEMBL7082497

C=Cc1cc(C)cc(C=C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.36
HDAC8 Q9BY41 3/20 0.36
TRPA1 O75762 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SELL P14151 1/20 0.30
SELP P16109 1/20 0.30
SELE P16581 1/20 0.30
ACHE P22303 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
SCHEMBL181488 0.94 TP53 (0.56) TP53TDP1ALDH1A1TSHRHDAC8
Hydrogen Sulfide SCHEMBL29004367 0.91 TP53 (0.54) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL10609173 0.87 TP53 (0.46) TP53TDP1ALDH1A1TSHRHDAC8
Methoxymethane SCHEMBL28663826 0.86 TDP1 (0.50) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL27897538 0.84 TP53 (0.48) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL217938 0.83 ALDH1A1 (0.57) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL16959668 0.82 TP53 (0.46) TP53TDP1ALDH1A1HDAC8ACHE
SCHEMBL16950874 0.82 TP53 (0.46) TP53TDP1ALDH1A1HDAC8
SCHEMBL22572944 0.82 ALDH1A1 (0.57) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL9268954 0.82 TDP1 (0.46) TP53TDP1ALDH1A1TSHRHDAC8

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
WO-2003064484-A1 METAL COMPLEX COMPOSITIONS BASED ON COBALT AND THEIR USE AS POLYMERIZATION CATALYST FOR OLEFINS AND DIENES DOW GLOBAL TECHNOLOGIES INC. (US) 2003-08-07 WO disclosed