SCHEMBL30782015

SCHEMBL30782015

CC(C)(C)c1cc2[nH]c3ccccc3c2cc1C(C)(C)C.Cc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.52
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HCRTR1 O43613 1/20 0.43
NPC1 O15118 1/20 0.42
GFER P55789 1/20 0.42
IMPDH2 P12268 2/20 0.41
GAA P10253 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 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
Terephthalic Acid SCHEMBL29145301 0.89 KIF11 (0.57) KIF11PARP1KDM4EKMT2AMAPT
Carbazole SCHEMBL30782017 0.87 PARP1 (0.51) KIF11PARP1KDM4EKMT2AMAPT
SCHEMBL30782018 0.82 PARP1 (0.45) KIF11PARP1KDM4EKMT2AMAPT
SCHEMBL29145285 0.81 KIF11 (0.62) KIF11PARP1KDM4EKMT2AMAPT
SCHEMBL30782014 0.81 KDM4E (0.58) KIF11PARP1KDM4EKMT2AMAPT
SCHEMBL30782016 0.80 PARP1 (0.43) KIF11PARP1KDM4EKMT2AMAPT
SCHEMBL28160728 0.79 AHR (0.63) KIF11KDM4EKMT2AMAPTALDH1A1
SCHEMBL29823892 0.74 KDM4E (0.60) KIF11PARP1KDM4EKMT2AMAPT
SCHEMBL70283 0.74 KDM4E (0.60) KIF11PARP1KDM4EKMT2AMAPT
SCHEMBL29377098 0.74 PARP1 (0.73) KIF11PARP1KDM4EKMT2AALDH1A1

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-117477036-B Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-03-05 CN claimed
CN-117477036-A Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-01-30 CN claimed
CN-117477036-B Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-03-05 CN disclosed
CN-117477036-A Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-01-30 CN disclosed