SCHEMBL13656641

SCHEMBL13656641

C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3cc(-c4ccc(-c5ccc6ccccc6c5)s4)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGS2 P35354 3/20 0.34
ESR1 P03372 2/20 0.33
ERN1 O75460 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
WRN Q14191 1/20 0.31
ALOX5 P09917 1/20 0.31
RELA Q04206 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL13656643 0.99 CYP19A1 (0.34) CYP19A1CYP11B2PTGS2ESR1ERN1
SCHEMBL13656645 0.90 HSD17B1 (0.41) CYP19A1CYP11B2PTGS2ESR1HSD17B1
SCHEMBL13656634 0.89 HSD17B1 (0.40) CYP19A1CYP11B2PTGS2ESR1HSD17B1
SCHEMBL17928790 0.88
SCHEMBL13656640 0.88 CA12 (0.36) CYP19A1CYP11B2PTGS2ESR1HSD17B1
SCHEMBL13656644 0.87 CA12 (0.35) CYP19A1CYP11B2PTGS2ESR1HSD17B1
SCHEMBL13656624 0.86 MAPT (0.34) ERN1GPR84HSD17B1HSD17B2CYP1A1
SCHEMBL2085352 0.86 CYP19A1 (0.42) CYP19A1CYP11B2PTGS2ESR1GPR84
SCHEMBL17928715 0.85 GPR84 (0.31) GPR84
SCHEMBL19639003 0.84 CYP19A1 (0.42) CYP19A1CYP11B2PTGS2ESR1GPR84

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501821-B1 NEW ORGANIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME LG CHEMICAL LTD (KR) 2016-07-20 EP disclosed
US-7604874-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-10-20 US disclosed
US-7604874-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-10-20 US disclosed
US-7485733-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-02-03 US disclosed
US-7485733-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-02-03 US disclosed
US-20070037012-A1 having an anthracene compound substituted with at least one thiophenyl ring; OLED organic light emitters; as displays with low power consumption, faster response time, higher brightness level, unlimited viewing angle LG CHEM, LTD. (KR) 2007-02-15 US disclosed
US-20070037012-A1 having an anthracene compound substituted with at least one thiophenyl ring; OLED organic light emitters; as displays with low power consumption, faster response time, higher brightness level, unlimited viewing angle LG CHEM, LTD. (KR) 2007-02-15 US disclosed