SCHEMBL4854444

SCHEMBL4854444

c1ccc2c(c1)cc1c3c2ccc2ccc4cccc(c4c23)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
CYP3A4 P08684 3/20 0.59
CYP1A2 P05177 5/20 0.55
ERBB2 P04626 1/20 0.55
FYN P06241 1/20 0.55
MAOA P21397 1/20 0.55
ACHE P22303 1/20 0.55
AHR P35869 1/20 0.55
ALDH1A1 P00352 8/20 0.45
HSD17B10 Q99714 7/20 0.45
HPGD P15428 6/20 0.45
THRB P10828 1/20 0.45
HIF1A Q16665 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1B1 Q16678 3/20 0.41
HPRT1 P00492 3/20 0.39
KDM4E B2RXH2 2/20 0.37
CYP2A6 P11509 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
SCHEMBL4852107 0.98 TSHR (0.61) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4856741 0.85 TSHR (0.57) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4846390 0.85 TSHR (0.57) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4852351 0.82 TSHR (0.47) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4850135 0.80 TSHR (0.64) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL30001721 0.79 TSHR (0.94) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4846405 0.79 TSHR (0.94) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4855926 0.78 TSHR (0.56) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4853795 0.78 TSHR (0.68) TSHRCYP3A4CYP1A2ERBB2FYN
SCHEMBL4847312 0.77 TSHR (0.54) TSHRCYP3A4CYP1A2ERBB2FYN

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