SCHEMBL727211

SCHEMBL727211

CCCCN(CCCC)C(C)(C)C(=O)c1ccc(SC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PLK1 P53350 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
MLYCD O95822 2/20 0.38
HAO1 Q9UJM8 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
LMNA P02545 3/20 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
SCHEMBL725568 0.91 ALDH1A1 (0.46) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL726067 0.87 SMN1; SMN2 (0.43) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL726032 0.86 ALDH1A1 (0.47) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL19007790 0.84 ALDH1A1 (0.46) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL9681735 0.84 HPGD (0.47) ALDH1A1THRATHRBMLYCDGAA
SCHEMBL725753 0.82 TSHR (0.47) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL10886088 0.82 TAS1R3 (0.41) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL10384758 0.81 HDAC3 (0.45) TSHRALDH1A1MLYCDGAAHPGD
SCHEMBL10887604 0.81 THRA (0.39) TSHRALDH1A1MAPK1SMN1; SMN2THRA
SCHEMBL9315354 0.81 CES1 (0.46) ALDH1A1GAAHPGD

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