SCHEMBL10104553

SCHEMBL10104553

BC(C)(C)C(=O)c1ccc(SC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
PLK1 P53350 1/20 0.50
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
HAO1 Q9UJM8 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL13610814 0.83 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL725552 0.82 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL6964815 0.82 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL28733592 0.80 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL10888489 0.80 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL7195729 0.78 CES1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL58563 0.77 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL7514085 0.77 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL7495655 0.77 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL7495651 0.77 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1

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-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed