SCHEMBL6139050

SCHEMBL6139050

CCC(O)CC(c1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ LMNA P02545 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ EGFR P00533 4/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ AOC3 Q16853 2/20 0.38
▸ DAO P14920 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL7814836 0.80 ALOX5 (0.50) ALOX5LOXL2KDM4EMAPTALDH1A1
SCHEMBL7267170 0.77 ALOX5 (0.48) ALOX5LMNALOXL2KDM4EMAPT
SCHEMBL29875124 0.77 ALOX5 (0.48) ALOX5LMNALOXL2KDM4EMAPT
SCHEMBL2403430 0.76 LMNA (0.58) LMNAKDM4EALDH1A1AOC3GAA
SCHEMBL2071266 0.75 HTR2A (0.57) ALOX5LOXL2AOC3
SCHEMBL27663367 0.75 LOXL2 (0.44) ALOX5LOXL2KDM4EMAPTALDH1A1
SCHEMBL518794 0.75 ALOX5 (0.50) ALOX5LMNALOXL2KDM4EMAPT
SCHEMBL23468379 0.74 ALOX5 (0.51) ALOX5LMNALOXL2KDM4EMAPT
SCHEMBL13178686 0.73 KDM4E (0.51) ALOX5LOXL2KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL29085975 0.73 AOC3 (0.52) ALOX5LMNALOXL2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 — — EP disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 — — EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 — — WO disclosed
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