SCHEMBL28209322

SCHEMBL28209322

CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.Cc1ccc(OOC(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ F2 P00734 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ PKM P14618 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL94313 0.87 F2 (0.57) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL28090315 0.85 TDP1 (0.47) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL11375636 0.84 ALDH1A1 (0.62) ALDH1A1TDP1TSHRHSD17B10MAPT
Benzoyl Peroxide SCHEMBL9251240 0.83 TDP1 (0.65) ALDH1A1TDP1TSHRHSD17B10MAPT
Benzoyl Peroxide SCHEMBL28049936 0.82 TDP1 (0.62) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL6659565 0.80 TDP1 (0.70) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL7914561 0.79 TDP1 (0.59) ALDH1A1TDP1TSHRHSD17B10MAPT
Benzoyl Peroxide SCHEMBL1841580 0.79 TDP1 (0.69) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL11615341 0.79 TDP1 (0.80) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL10560176 0.78 F2 (0.70) ALDH1A1TDP1TSHRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105940457-B Solid electrolyte composition, battery electrode sheet and solid state secondary battery using it, the manufacture method of battery electrode sheet and solid state secondary battery 富士胶片株式会社 2018-03-30 — — CN disclosed
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