SCHEMBL725631

SCHEMBL725631

COCCN(CCOC)C(C)(C)C(=O)c1ccc(SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
PLK1 P53350 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ALOX15 P16050 2/20 0.38
LMNA P02545 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL9679941 0.85 ALDH1A1 (0.46) MLYCDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL19007790 0.83 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL725568 0.83 ALDH1A1 (0.46) MLYCDALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL9681281 0.82 CA1 (0.47) MLYCDALDH1A1MAPK1PLK1EPHX2
SCHEMBL10384876 0.82 MLYCD (0.46) MLYCDALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL726032 0.81 ALDH1A1 (0.47) MLYCDALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL10384259 0.81 CES1 (0.45) MLYCDTSHRSMN1; SMN2MAPK1LMNA
SCHEMBL9681301 0.81 MLYCD (0.45) MLYCDALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL727211 0.81 TSHR (0.43) MLYCDALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL9681018 0.81 ALDH1A1 (0.50) MLYCDALDH1A1TSHRSMN1; SMN2MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed