SCHEMBL7824670

SCHEMBL7824670

COC(=O)c1ccc(O)cc1C(=O)OC.O=C(OC1CCCCC1)c1ccc(O)cc1C(=O)OC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
PDK2 Q15119 1/20 0.53
PDK4 Q16654 1/20 0.53
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPK10 P53779 1/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL312528 0.92 MEN1 (0.49) ALDH1A1HSD17B10ALOX15MAPK1MAPK10
SCHEMBL27604548 0.87 MEN1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL21802714 0.85 NPC1 (0.48) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL6404705 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10KMT2ANPC1RAB9A
SCHEMBL25262379 0.83 TDP1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10721944 0.83 TDP1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL158999 0.82 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL28231403 0.82 SMN1; SMN2 (0.47) ALDH1A1HSD17B10KMT2ANPC1RAB9A
SCHEMBL23275563 0.80 MEN1 (0.53) ALDH1A1HSD17B10KMT2AMEN1KDM4E
SCHEMBL27600140 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPK1KMT2ANPC1

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-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed