SCHEMBL13845293

SCHEMBL13845293

CCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.58
PLK1 P53350 1/20 0.58
CYP19A1 P11511 1/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
ESR1 P03372 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8984333 0.93 L3MBTL1 (0.56) ELANEL3MBTL1PLK1GAALMNA
SCHEMBL6341040 0.91 L3MBTL1 (0.68) L3MBTL1PLK1CYP19A1GAALMNA
SCHEMBL14370317 0.90 LMNA (0.58) ELANEL3MBTL1PLK1GAALMNA
SCHEMBL11578668 0.86 KMT2A (0.67) L3MBTL1PLK1CYP19A1GAALMNA
SCHEMBL8350895 0.85 TP53 (0.56) L3MBTL1GAALMNATP53TSHR
SCHEMBL4057303 0.85 ACACB (0.59) L3MBTL1PLK1LMNAMAPK1KMT2A
SCHEMBL6427017 0.84 MAPT (0.62) L3MBTL1PLK1CYP19A1GAALMNA
SCHEMBL50488 0.84 GAA (0.72) ELANEL3MBTL1PLK1GAALMNA
SCHEMBL13845292 0.84 LTA4H (0.68) ELANEL3MBTL1PLK1CYP19A1GAA
SCHEMBL8769969 0.83 TP53 (0.68) L3MBTL1GAATP53TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed