SCHEMBL13921985

SCHEMBL13921985

CCC(C)(C)C(=O)OCCc1ccc(C(=O)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.51
CYP4F2 P78329 1/20 0.50
NPC1 O15118 5/20 0.48
MAPT P10636 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
CKS1B P61024 1/20 0.44

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
SCHEMBL14178032 0.84 PTPRC (0.43) NPC1MAPTRAB9ASMN1; SMN2CA1
SCHEMBL2742155 0.82 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2CA1
SCHEMBL1606962 0.80 RIPK1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13756151 0.80 LOXL2 (0.51) NPC1MAPTRAB9ASMN1; SMN2LOXL2
SCHEMBL14018525 0.79 CYP4A11 (0.54) CYP4A11CYP4F2NPC1MAPTRAB9A
SCHEMBL15179714 0.79 CHRM2 (0.37) NPC1MAPTRAB9ASMN1; SMN2CA1
SCHEMBL15179719 0.78 FKBP1A (0.36) NPC1MAPTRAB9ASMN1; SMN2CA1
SCHEMBL16625742 0.78 CHRM5 (0.40) NPC1RAB9ASMN1; SMN2LOXL2ALDH1A1
SCHEMBL12126258 0.78 MAPT (0.49) NPC1MAPTRAB9ASMN1; SMN2CA1
SCHEMBL2742139 0.78 ESR1 (0.63) NPC1MAPTRAB9ASMN1; SMN2CA1

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
US-7507525-B2 Polymerizable composition and lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-03-24 US disclosed
US-7279539-B2 Alkali-soluble polymer and polymerizable composition thereof FUJIFILM CORPORATION (JP) 2007-10-09 US disclosed