SCHEMBL8875892

SCHEMBL8875892

CC(C)(C)C(=O)[CH]C(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.30
NPC1 O15118 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL11437854 0.83 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL8464142 0.77 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10NPC1KDM4E
SCHEMBL8464139 0.77 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10NPC1KDM4E
SCHEMBL9395474 0.76 HCAR2 (0.46) ALDH1A1HSD17B10NPC1KDM4EMAPT
SCHEMBL25240738 0.74
SCHEMBL1771938 0.74
SCHEMBL3081306 0.74
SCHEMBL19293606 0.74
Water SCHEMBL10461843 0.72
Water SCHEMBL10461841 0.72 ALDH1A1 (0.30) ALDH1A1TSHR

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
CN-106083835-B Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2020-01-07 CN disclosed
US-5619051-A Semiconductor nonvolatile memory cell NEC CORPORATION (JP) 1997-04-08 US disclosed
EP-0433024-B1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO LTD (JP) 1994-09-21 EP disclosed
EP-0433024-A1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO., LTD. (JP) 1991-06-19 EP disclosed