SCHEMBL9845229

SCHEMBL9845229

CCCC(C)COC(=O)C(C)Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
ALOX15 P16050 5/20 0.36
CYP2C9 P11712 3/20 0.36
TP53 P04637 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
NR1I2 O75469 2/20 0.35
LMNA P02545 2/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL27881409 0.82 ALOX15 (0.44) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL9845235 0.81 LCK (0.43) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL9845237 0.76 KDM6B (0.45) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL12035922 0.74 EPHX2 (0.53) HSP90AA1HSP90AB1ALOX15CYP2C9TP53
SCHEMBL13593985 0.73 ALOX15 (0.47) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL2557215 0.71 GABRA1 (0.59) HSP90AA1HSP90AB1ALOX15CYP2C9TP53
SCHEMBL9845247 0.71 ALDH1A1 (0.44) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL27899847 0.70 HMGCR (0.50) ATMGAANPSR1ALOX15CYP2C9
SCHEMBL6819565 0.70 GAA (0.43) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL27882298 0.70 HMGCR (0.56) ATMGAANPSR1ALOX15CYP2C9

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
EP-0415883-A2 Stabilizers for colour photographic materials CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed