SCHEMBL4853538

SCHEMBL4853538

c1cc2c(c1)c1ccc3ccc4c5cccc5c5ccc6ccc2c2c6c5c4c3c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.68
ALDH1A1 P00352 6/20 0.68
HPGD P15428 5/20 0.68
CYP1A2 P05177 3/20 0.68
THRB P10828 1/20 0.68
ERBB2 P04626 1/20 0.52
FYN P06241 1/20 0.52
MAOA P21397 1/20 0.52
ACHE P22303 1/20 0.52
AHR P35869 1/20 0.52
TSHR P16473 7/20 0.50
CYP3A4 P08684 4/20 0.50
HPRT1 P00492 3/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.40
MAPK1 P28482 3/20 0.36
CASP1 P29466 2/20 0.36

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
SCHEMBL29613397 0.94 HSD17B10 (0.68) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4852312 0.94 HSD17B10 (0.68) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4847752 0.94 HSD17B10 (0.68) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL9157679 0.94 HSD17B10 (0.68) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4846846 0.91 ALDH1A1 (0.74) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4851865 0.91 ALDH1A1 (0.74) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL31177926 0.91 ALDH1A1 (0.74) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL31177923 0.91 ALDH1A1 (0.74) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4853640 0.89 HSD17B10 (0.80) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL29587575 0.89 HSD17B10 (0.80) HSD17B10ALDH1A1HPGDCYP1A2THRB

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