SCHEMBL12808355

SCHEMBL12808355

CC[C@H](C)c1cc(C)c(N)c(SC)c1N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RORC P51449 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
SCHEMBL342438 0.77 TSHR (0.34) ALDH1A1USP2GAAPKMHPGD
SCHEMBL9180441 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTP53CYP3A4TDP1
SCHEMBL30692102 0.74 KDM4E (0.37) ALDH1A1USP2GAAPKMHPGD
SCHEMBL12808354 0.72 USP2 (0.34) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11415140 0.71 TSHR (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL560581 0.71 TSHR (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL9803794 0.71 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10TSHRTP53
SCHEMBL9181900 0.69 CA1 (0.31) ALDH1A1GAA
SCHEMBL31510796 0.68 ALDH1A1 (0.33) ALDH1A1ALOX15HSD17B10TSHRTP53
SCHEMBL8764562 0.68 ALDH1A1 (0.32) ALDH1A1TSHRTP53CYP3A4TDP1

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
EP-2142586-B1 SEALANT COMPOSITION COMPRISING POLYTHIOETHER PRC DESOTO INT INC (US) 2011-04-06 EP disclosed