SCHEMBL7754056

SCHEMBL7754056

C=Cc1cc[c]c(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.32
PTGS2 P35354 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
TSHR P16473 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
SCHEMBL8896814 0.82 TYR (0.43) TDP1ALDH1A1PTGS2TSHR
SCHEMBL5125916 0.72
SCHEMBL3846079 0.70 ALDH1A1 (0.39) TP53TDP1ALDH1A1TRPA1HDAC8
SCHEMBL677008 0.70 LMNA (0.37) TP53TDP1ALDH1A1TRPA1HDAC8
SCHEMBL1776424 0.70 TRPA1 (0.35) TDP1TRPA1
SCHEMBL21268353 0.69 ALDH1A1 (0.40) ALDH1A1HDAC8TSHR
SCHEMBL6300144 0.68
SCHEMBL10612043 0.68 ESR1 (0.31) ALDH1A1TRPA1TSHR
SCHEMBL207542 0.68 GABRA1 (0.32) ALDH1A1
SCHEMBL1418811 0.68

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-1071660-A1 N-SULPHONYL AND N-SULPHINYL PHENYLGLYCINAMIDE Novartis AG (CH) 2001-01-31 EP disclosed
WO-1999043644-A1 N-SULPHONYL AND N-SULPHINYL PHENYLGLYCINAMIDE___________________ NOVARTIS AG (CH) 1999-09-02 WO disclosed