SCHEMBL725901

SCHEMBL725901

CSc1ccc(C(=O)C(C)(C)N2CCCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
TSHR P16473 4/20 0.73
MAPK1 P28482 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TNF P01375 1/20 0.45
PLK1 P53350 1/20 0.42
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MLYCD O95822 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL725932 1.00 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL9679674 0.98 ALDH1A1 (0.75) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL20204952 0.92 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL9681607 0.86 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL11896654 0.86 ALDH1A1 (0.63) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL14246539 0.84 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL27554 0.84 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL2704635 0.84 ALDH1A1 (0.69) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL10890719 0.84 ALDH1A1 (0.69) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL9680468 0.83 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1SMN1; SMN2HPGD

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 11 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