SCHEMBL12319677

SCHEMBL12319677

CC(C)(C)c1cc2c3c(c1)c(=O)c(=O)c1cc(-c4ccccc4C(C)(C)C)cc(c1-3)c(=O)c2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ TRPA1 O75762 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN5 P54829 1/20 0.37
▸ NR1H3 Q13133 1/20 0.34
▸ PRKDC P78527 1/20 0.33
▸ DNMT1 P26358 3/20 0.33
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL1445682 0.77 GABRA1 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL14641549 0.74 KIF11 (0.49) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL11667207 0.70 TRPA1 (0.46) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12319887 0.69 PTPN5 (0.44) ALDH1A1L3MBTL1PTPN5TDP1
SCHEMBL23746850 0.69 TRPA1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8849400 0.69 PTPN5 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL291792 0.67 ALDH1A1 (0.46) ALDH1A1TRPA1PTPN5TSHRTDP1
SCHEMBL29833702 0.67 ALDH1A1 (0.46) ALDH1A1TRPA1PTPN5TSHRTDP1
SCHEMBL12319679 0.67 PTPRC (0.50) ALDH1A1NPC1RAB9AL3MBTL1TRPA1
SCHEMBL11216831 0.67 PTPN5 (0.57) ALDH1A1PTPN1PTPN5TSHRTDP1

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
EP-2546907-A1 ELECTRODE ACTIVE MATERIAL FOR ELECTRICITY STORAGE DEVICE, AND ELECTRICITY STORAGE DEVICE USING SAME Panasonic Corporation (JP) 2013-01-16 — — EP disclosed
WO-2011111401-A1 ELECTRODE ACTIVE MATERIAL FOR ELECTRICITY STORAGE DEVICE, AND ELECTRICITY STORAGE DEVICE USING SAME パナソニック株式会社 (JP) 2011-09-15 — — WO disclosed
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