SCHEMBL9795331

SCHEMBL9795331

CCCCCCCCCC(C)(C)c1cccc(C(=O)O)c1O.[Ni]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ALB P02768 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KAT8 Q9H7Z6 4/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 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
SCHEMBL3010386 0.99 ALDH1A1 (0.42) ALDH1A1ALBKDM4EHPGDHSD17B10
SCHEMBL659868 0.97 KDM4E (0.44) ALDH1A1ALBKDM4EHPGDHSD17B10
SCHEMBL9795325 0.85 CNR1 (0.40) ALDH1A1CNR1CNR2
Zinc Ion SCHEMBL9299896 0.85 CNR1 (0.40) ALDH1A1CNR1CNR2
SCHEMBL8906262 0.84 BID (0.43) ALDH1A1KDM4EHSD17B10CA12CA9
SCHEMBL1839805 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL1837729 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL17148818 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL1839224 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL1834338 0.83 CNR2 (0.49) CNR1CNR2

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
JP-3081186-A None JP disclosed
JP-H0381186-A PRESSURE-SENSITIVE RECORDING SHEET FUJI PHOTO FILM CO LTD 1991-04-05 JP disclosed