SCHEMBL4850133

SCHEMBL4850133

c1ccc2c(c1)Cc1c3ccccc3cc3cccc-2c13.c1ccc2c(c1)Cc1cccc3c1c-2cc1ccccc13.c1ccc2cc3c(ccc4c3ccc3c5ccc6ccccc6c5ccc43)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 5/20 0.44
HPGD P15428 4/20 0.44
HIF1A Q16665 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 4/20 0.41
ACHE P22303 3/20 0.41
FYN P06241 2/20 0.41
AHR P35869 2/20 0.41
ERBB2 P04626 1/20 0.41
MAOA P21397 1/20 0.41
CYP1B1 Q16678 1/20 0.37
CES1 P23141 1/20 0.35
LCK P06239 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL4856726 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL5471554 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL4846898 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL5476048 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL4764761 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10HPGDHIF1ATSHR
Fluorene SCHEMBL28532640 0.79 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL30392609 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL7511602 0.74 PNMT (0.39) ALDH1A1HSD17B10HPGDHIF1ATSHR
Pyrene SCHEMBL1133715 0.72 CYP1A2 (0.49) ALDH1A1HSD17B10HPGDHIF1ATSHR
Anthracene SCHEMBL28530330 0.72 CA1 (0.40) ALDH1A1HSD17B10HPGDHIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed