SCHEMBL5458976

SCHEMBL5458976

C=CCc1ccc(-c2ccsc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
CYP2A6 P11509 3/20 0.47
CYP2E1 P05181 2/20 0.47
CYP2B6 P20813 2/20 0.47
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
GABRA1 P14867 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
GABRB2 P47870 2/20 0.40

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
SCHEMBL584333 0.81 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4ALOX15TSHR
Water SCHEMBL28100235 0.79 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL8343615 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL5828167 0.78 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL30506 0.77
SCHEMBL27989815 0.76 CYP2A6 (0.74) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL27663911 0.75
SCHEMBL27663912 0.75
SCHEMBL8043552 0.74 CYP17A1 (0.53) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL28985375 0.74 CYP2A6 (0.52) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1

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
CN-102683596-A Solar cell module TOSHIBA KK 2012-09-19 CN disclosed
US-20120148755-A1 ORGANIC EL ELEMENT AND METHOD OF MANUFACTURING THE SAME, ORGANIC EL DISPLAY DEVICE USING THE ELEMENT, ORGANIC EL MATERIAL, AND SURFACE EMISSION DEVICE AND LIQUID CRYSTAL DISPLAY DEVICE USING THE MATERIAL FUJITSU LIMITED (JP) 2012-06-14 US disclosed
US-7208234-B2 Organic EL element and method of manufacturing the same, organic EL display device using the element, organic EL material, and surface emission device and liquid crystal display device using the material FUJITSU LIMITED (JP) 2007-04-24 US disclosed
US-7153592-B2 Organic EL element and method of manufacturing the same, organic EL display device using the element, organic EL material, and surface emission device and liquid crystal display device using the material FUJITSU LIMITED (JP) 2006-12-26 US disclosed
US-20060204788-A1 Organic EL element and method of manufacturing the same, organic EL display device using the element, organic EL material, and surface emission device and liquid crystal display device using the material FUJITSU LIMITED (JP) 2006-09-14 US disclosed
US-20050208206-A1 Organic EL element and method of manufacturing the same, organic EL display device using the element, organic EL material, and surface emission device and liquid crystal display device using the material FUJITSU LIMITED (JP) 2005-09-22 US disclosed
US-20020051894-A1 Organic EL element and method of manufacturing the same, organic EL display device using the element, organic EL material, and surface emission device and liquid crystal display device using the material FUJITSU LIMITED (JP) 2002-05-02 US disclosed