SCHEMBL3810958

SCHEMBL3810958

Cc1ccc(C(=O)N(c2cc(-c3cccc(C(F)(F)F)c3)sc2OC(=O)O)C(C)C)c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ PTPN6 P29350 2/20 0.41
▸ GPR34 Q9UPC5 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MRGPRX4 Q96LA9 5/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTGER1 P34995 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL2157680 0.90 KIFC1 (0.41) KIFC1PTPN1PTPN6GPR34RORC
SCHEMBL3812444 0.85 ALDH1A1 (0.36) RORCALDH1A1MAPT
SCHEMBL3815731 0.81 HDAC6 (0.39) ALDH1A1MAPT
SCHEMBL3817251 0.81 MAPT (0.37) ALDH1A1MAPT
SCHEMBL3814669 0.80 NTRK1 (0.43) L3MBTL1ALDH1A1GAAPPARD
SCHEMBL3817340 0.79 RORB (0.37) RORCALDH1A1MAPTHTT
SCHEMBL3811068 0.78 KDM4E (0.39) MAPT
SCHEMBL3815360 0.78 KDM4E (0.38) ALDH1A1MAPT
SCHEMBL3812533 0.77 MAPT (0.38) ALDH1A1GAAMAPT
SCHEMBL3809515 0.76 IKBKB (0.39) MAPT

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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