SCHEMBL9562616

SCHEMBL9562616

CCCCOc1ccc(OC(=O)[C@H]2CC[C@H]([C@H]3CC[C@H](CCCC)CC3)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 3/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
HTR2C P28335 2/20 0.33

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
SCHEMBL9562619 1.00 MAPT (0.40) MAPTGAANPC1PTGESALOX5
SCHEMBL9562403 0.97 MAPT (0.39) MAPTGAANPC1PTGESALOX5
SCHEMBL9562698 0.97 GAA (0.37) MAPTGAANPC1PTGESALOX5
SCHEMBL9562705 0.97 GAA (0.37) MAPTGAANPC1PTGESALOX5
SCHEMBL9562406 0.97 MAPT (0.39) MAPTGAANPC1PTGESALOX5
SCHEMBL9562441 0.96 MAPT (0.42) MAPTGAANPC1PTGESALOX5
SCHEMBL9562443 0.96 MAPT (0.42) MAPTGAANPC1PTGESALOX5
SCHEMBL9562608 0.96 MEN1 (0.37) MAPTGAANPC1PTGESALOX5
SCHEMBL9562612 0.96 MEN1 (0.37) MAPTGAANPC1PTGESALOX5
SCHEMBL9406180 0.95 NPC1 (0.38) MAPTGAANPC1PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US claimed
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed
EP-0332007-B1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1992-11-25 EP disclosed
EP-0373186-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1990-06-20 EP disclosed
WO-1989008637-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed