SCHEMBL3811190

SCHEMBL3811190

CC(C)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(C2=CCN(OC(=O)OCc3ccccc3)CC2)sc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ FDFT1 P37268 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL2251159 0.89 LNPEP (0.39) MAPTTHRBNPC1RAB9APTGDR2
SCHEMBL2157555 0.81 HTT (0.37) MAPTTHRBHTTTSHR
SCHEMBL3811523 0.81 CYP2E1 (0.32) —
SCHEMBL3815964 0.81 SLC6A12 (0.34) NPC1RAB9APTGDR2ALDH1A1SLC6A12
SCHEMBL2107658 0.77 HTT (0.38) ALDH1A1HTTTSHR
SCHEMBL2107025 0.76 SERPINE1 (0.38) ALDH1A1HTTLMNATSHR
SCHEMBL2158689 0.74 CYP1A2 (0.40) MAPTTSHR
SCHEMBL3811676 0.73 SLC6A12 (0.35) NPC1RAB9ASLC6A12
SCHEMBL2157968 0.73 SMN1; SMN2 (0.40) NPC1RAB9AHTTFDFT1
SCHEMBL3808991 0.72 SLC6A12 (0.33) NPC1RAB9AALDH1A1SLC6A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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