SCHEMBL9681689

SCHEMBL9681689

Cc1ccc(C(=O)C(C)(C)N2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CHRM2 P08172 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD3 P35462 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SLC6A3 Q01959 3/20 0.45
LMNA P02545 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
PKM P14618 1/20 0.44
CA2 P00918 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL14946370 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1CHRM2
SCHEMBL25391137 0.98 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1CHRM2
SCHEMBL10943847 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10944065 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL17265631 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1MEN1
SCHEMBL11896651 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681634 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1MEN1
SCHEMBL9680403 0.84 HPGD (0.52) ALDH1A1SMN1; SMN2TSHRMAPK1MEN1
SCHEMBL11263701 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL701448 0.83 MAPK1 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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