SCHEMBL9562771

SCHEMBL9562771

CCCCC1CCC(C(=O)Oc2ccc(OCCC)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL9562765 1.00 MAPT (0.41) MAPTGAALMNAMAPK1HTT
SCHEMBL9562406 0.97 MAPT (0.39) MAPTGAALMNAMAPK1HTT
SCHEMBL9562403 0.97 MAPT (0.39) MAPTGAALMNAMAPK1HTT
SCHEMBL9406074 0.96 GAA (0.39) MAPTGAALMNAMAPK1HTT
SCHEMBL9406079 0.96 GAA (0.39) MAPTGAALMNAMAPK1HTT
SCHEMBL9562441 0.96 MAPT (0.42) MAPTGAALMNAMAPK1HTT
SCHEMBL9562443 0.96 MAPT (0.42) MAPTGAALMNAMAPK1HTT
SCHEMBL9562416 0.95 MEN1 (0.39) MAPTGAAHTTHPGDNPC1
SCHEMBL9562411 0.95 MEN1 (0.39) MAPTGAAHTTHPGDNPC1
SCHEMBL9562630 0.94 MAPT (0.41) MAPTGAALMNAMAPK1HTT

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
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