SCHEMBL4846898

SCHEMBL4846898

c1ccc2c(c1)Cc1cccc3c1c-2cc1cc2cc4ccccc4cc2cc13

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.46
TSHR P16473 4/20 0.46
MAPK1 P28482 3/20 0.46
HIF1A Q16665 3/20 0.46
CASP1 P29466 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 3/20 0.40
TP53 P04637 2/20 0.39
CASP7 P55210 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 0.98 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL5476048 0.87 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4764761 0.83 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4850133 0.81 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10TSHRMAPK1
Benz(B)Anthracene SCHEMBL29144751 0.79 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TSHRMAPK1
Fluorene SCHEMBL28532640 0.78 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4851884 0.78 ALDH1A1 (0.74) ALDH1A1HPGDHSD17B10TSHRMAPK1
Fluorene SCHEMBL4852000 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL28062085 0.78 TSHR (0.42) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4847312 0.77 TSHR (0.54) ALDH1A1HPGDHSD17B10TSHRMAPK1

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 4 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-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed