SCHEMBL16448937

SCHEMBL16448937

CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)c2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
HIF1A Q16665 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12442305 0.89 NR1I2 (0.35) NR1I2HIF1ALPLLIPGKIF11
SCHEMBL30640498 0.85 LPL (0.40) HIF1ALPLLIPGKIF11
SCHEMBL26185543 0.85 LPL (0.40) HIF1ALPLLIPGKIF11
SCHEMBL26621961 0.84 LPL (0.39) NR1I2HIF1ALPLLIPGKIF11
SCHEMBL4586623 0.84 LPL (0.33) HIF1ALPLLIPG
SCHEMBL21777914 0.81 LPL (0.36) NR1I2HIF1ALPLLIPGKIF11
SCHEMBL19412199 0.79 NR1I2 (0.39) NR1I2HIF1ALPLLIPG
SCHEMBL29470104 0.79 NR1I2 (0.39) NR1I2HIF1ALPLLIPG
SCHEMBL27026509 0.79 HIF1A (0.44) NR1I2HIF1ALPLLIPG
SCHEMBL1984017 0.78 LPL (0.33) HIF1ALPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951648-B2 Diacenaphtho[1,2-b:1′,2′-k]chrysene derivative CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed
US-8951648-B2 Diacenaphtho[1,2-b:1′,2′-k]chrysene derivative CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed