SCHEMBL16379588

SCHEMBL16379588

CC(C)(C)c1cc2c3c(c1)c(=O)c1cc(C(C)(C)C)cc4c(O)c5cc(C(C)(C)C)cc(c2=O)c5c-3c41

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ACLY P53396 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA9 Q16790 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
Potassium Ion SCHEMBL17311946 0.81 — —
SCHEMBL1445682 0.78 GABRA1 (0.40) GABRA1GABRB2HDAC4HDAC2HDAC8
SCHEMBL17326823 0.73 CA12 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL17325363 0.69 GABRA1 (0.35) GABRA1GABRB2CYP2C19
SCHEMBL17323013 0.66 TTR (0.43) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL25247292 0.66 NR1I2 (0.36) GABRA1GABRB2HDAC4HDAC2HDAC8
SCHEMBL28418855 0.66 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL26227230 0.63 GABRA1 (0.34) GABRA1GABRB2HDAC4HDAC2HDAC8
SCHEMBL27787421 0.62 GABRA1 (0.55) GABRA1GABRB2HDAC4HDAC2HDAC8
SCHEMBL14641549 0.62 KIF11 (0.49) HDAC4HDAC2HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728785-B2 Active material for sodium ion battery, and sodium ion battery TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2017-08-08 — — US disclosed
US-9728785-B2 Active material for sodium ion battery, and sodium ion battery TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2017-08-08 — — US disclosed
US-20150357645-A1 ACTIVE MATERIAL FOR SODIUM ION BATTERY, AND SODIUM ION BATTERY TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2015-12-10 — — US disclosed
US-20150357645-A1 ACTIVE MATERIAL FOR SODIUM ION BATTERY, AND SODIUM ION BATTERY TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2015-12-10 — — US disclosed
US-8933437-B2 Organic semiconductor material with neutral radical compound of a trioxotriangulene derivative as a semiconductor material KANEKA CORPORATION (JP) 2015-01-13 — — US disclosed
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