SCHEMBL20303640

SCHEMBL20303640

OCCc1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 4/20 0.44
▸ USP25 Q9UHP3 3/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ SLC6A4 P31645 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL3372357 0.86 PTGDR2 (0.53) USP28USP25PTGDR2SLC6A4MEN1
SCHEMBL30468149 0.85 SLC6A4 (0.38) USP28USP25PTGDR2SLC6A4MEN1
SCHEMBL28755481 0.83 PTGDR2 (0.40) USP28USP25PTGDR2SLC6A4MAPK1
SCHEMBL3853386 0.81 SLC6A4 (0.40) USP28USP25PTGDR2SLC6A4MEN1
SCHEMBL29439695 0.79 CCR5 (0.49) USP28USP25PTGDR2SLC6A4MEN1
SCHEMBL3854039 0.79 CCR5 (0.49) USP28USP25PTGDR2SLC6A4MEN1
SCHEMBL18085151 0.78 SMN1; SMN2 (0.40) SLC6A4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL4110909 0.78 EPHX2 (0.40) USP28USP25MAOAMAOBALPL
SCHEMBL6044488 0.77 KDM4E (0.53) MEN1KMT2ASMN1; SMN2HTTHSD17B10
SCHEMBL3357880 0.77 USP28 (0.40) USP28USP25PTGDR2MEN1KMT2A

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-3558298-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS Merck Sharp & Dohme Corp. (US) 2019-10-30 — — EP disclosed
WO-2018118670-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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