SCHEMBL4854081

SCHEMBL4854081

c1ccc2c(c1)c1cccc3ccc4c5c6cccc7cccc(c8cccc(c85)c2c4c31)c76

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.76
ALDH1A1 P00352 6/20 0.76
HPGD P15428 5/20 0.76
CYP1A2 P05177 3/20 0.76
THRB P10828 1/20 0.76
ERBB2 P04626 1/20 0.59
FYN P06241 1/20 0.59
MAOA P21397 1/20 0.59
ACHE P22303 1/20 0.59
AHR P35869 1/20 0.59
HPRT1 P00492 3/20 0.52
TSHR P16473 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP2A6 P11509 1/20 0.43
MAPK1 P28482 3/20 0.39
CASP1 P29466 2/20 0.39

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
SCHEMBL2539407 0.98 HSD17B10 (0.80) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4853423 0.95 ALDH1A1 (0.76) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL1977966 0.95 HSD17B10 (0.76) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4847683 0.95 HSD17B10 (0.76) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL30932959 0.93 HSD17B10 (0.73) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4847036 0.93 HSD17B10 (0.73) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4853640 0.93 HSD17B10 (0.80) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4853454 0.93 HSD17B10 (0.80) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4847699 0.93 ALDH1A1 (0.64) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4853465 0.93 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 6 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-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed