SCHEMBL4852233

SCHEMBL4852233

c1ccc2c(c1)cc1cc3ccccc3c3c1c2c1c2ccccc2cc2cc4ccccc4c3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 6/20 0.50
CYP1A2 P05177 5/20 0.50
HIF1A Q16665 2/20 0.50
ERBB2 P04626 1/20 0.50
FYN P06241 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
AHR P35869 1/20 0.50
CYP1B1 Q16678 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTR2A P28223 1/20 0.48
HPGD P15428 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.45
CYP2A6 P11509 2/20 0.45

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
SCHEMBL5470699 0.89 CYP1A2 (0.64) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4849329 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4852517 0.88 CYP1A2 (0.57) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4851479 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL5476802 0.88 CYP1A2 (0.63) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4852101 0.85 CYP1A2 (0.54) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4525187 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4853487 0.83 CYP1A2 (0.64) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4848619 0.81 CYP1A2 (0.61) ALDH1A1HSD17B10CYP1A2HIF1AERBB2
SCHEMBL4852914 0.80 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2HIF1AERBB2

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-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
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO disclosed
EP-0039085-A1 Process for increasing the solubility of aromatic systems Langhals, Heinz, Dr. (DE) 1981-11-04 EP disclosed