SCHEMBL3082401

SCHEMBL3082401

c1cc2ccc3ccc4ccc5ccc1c1c2c3c4c51

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HSD17B10 Q99714 6/20 0.58
TSHR P16473 6/20 0.58
HPGD P15428 4/20 0.58
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 3/20 0.58
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 2/20 0.58
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.35
CYP2A6 P11509 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX12 P18054 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL28417350 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL29366481 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL29363009 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL26856 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL31184703 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL29563511 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP1A2
Water SCHEMBL11666719 0.94 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRHPGDCYP1A2
Potassium SCHEMBL30637652 0.94 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL27593420 0.94 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRHPGDCYP1A2
Methane SCHEMBL27848988 0.94 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRHPGDCYP1A2

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-7794854-B2 Corannulene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-09-14 US disclosed
US-20070049779-A1 CORANNULENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2007-03-01 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed