SCHEMBL7561256

SCHEMBL7561256

Oc1ccc(-c2ccccc2)cc1Sc1cc(-c2ccccc2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.61
MEN1 O00255 3/20 0.61
HPGD P15428 3/20 0.61
ALOX15 P16050 3/20 0.61
KMT2A Q03164 3/20 0.61
HSD17B10 Q99714 3/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
HSP90AA1 P07900 2/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
ALOX12 P18054 2/20 0.61
HTT P42858 2/20 0.61
KDM4E B2RXH2 2/20 0.61
USP2 O75604 1/20 0.61
ESR2 Q92731 4/20 0.55
ACMSD Q8TDX5 3/20 0.52
HNF4A P41235 2/20 0.52
DHFR P00374 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL6271472 0.90 ALOX5 (0.55) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL15190516 0.87 ALOX5 (0.61) ALOX5MEN1HPGDALOX15KMT2A
Myristyl Alcohol SCHEMBL9297835 0.81 MGLL (0.50) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL4338317 0.80 ESR2 (0.49) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL28099220 0.79 ALOX5 (0.52) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL11764161 0.79 HSD17B2 (0.49) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL928289 0.77 ALOX5 (1.00) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL29848221 0.77 ALOX5 (1.00) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL305617 0.76 ALOX15 (1.00) ALOX5MEN1HPGDALOX15KMT2A
SCHEMBL29879392 0.76 ALOX15 (1.00) ALOX5MEN1HPGDALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002078970-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
WO-2002068206-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-09-06 WO disclosed
US-4287366-A BY OXIDATION OF THE CORRESPONDING SULFIDE OR SULFOXIDE WITH HYDROGEN PEROXIDE IN THE PRESENCE OF AN ALKALI METAL HYDROXIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1981-09-01 US disclosed
US-4275240-A OXIDATION OF 2,2'-BISPHENOL SULFIDES IN A SOLVENT MITSUI TOATSU CHEMICALS, INC. (JP) 1981-06-23 US disclosed