SCHEMBL7562285

SCHEMBL7562285

COC(=O)C(c1ccccc1)N1CSC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CACNA1A O00555 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB1 Q02641 1/20 0.37
MAOB P27338 6/20 0.36
MAOA P21397 3/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
ACHE P22303 2/20 0.35
GHSR Q92847 2/20 0.35
BCHE P06276 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
AGTR1 P30556 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7560742 0.85 CACNA1A (0.43) MEN1KMT2AALDH1A1CACNA1ACACNA2D1
SCHEMBL8936886 0.84 KMT2A (0.39) MEN1KMT2AALDH1A1CACNA1ACACNA2D1
SCHEMBL7561509 0.84 KMT2A (0.39) MEN1KMT2AALDH1A1CACNA1ACACNA2D1
SCHEMBL7561512 0.84 KMT2A (0.39) MEN1KMT2AALDH1A1CACNA1ACACNA2D1
SCHEMBL7563154 0.77 MAOB (0.46) MEN1KMT2AALDH1A1MAOBMAOA
SCHEMBL8589584 0.76 KMT2A (0.34) KMT2AALDH1A1CACNA1ACACNA2D1CACNB1
SCHEMBL7562281 0.75 SIRT1 (0.40) ALDH1A1LMNAMAOBMAOAGAA
SCHEMBL8589559 0.75 MAOB (0.39) MEN1KMT2AALDH1A1LMNACACNA1A
SCHEMBL7561784 0.75 KMT2A (0.34) KMT2AGHSR
SCHEMBL8532155 0.73 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799215-B1 PROCESS FOR PREPARING BENZYL-SUBSTITUTED RHODANINE DERIVATIVES LILLY CO ELI (US) 2002-08-14 EP disclosed
EP-0799215-A4 PROCESS FOR PREPARING BENZYL-SUBSTITUTED RHODANINE DERIVATIVES LILLY CO ELI (US) 1998-03-11 EP disclosed
EP-0799215-A1 PROCESS FOR PREPARING BENZYL-SUBSTITUTED RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-10-08 EP disclosed
US-5563277-A REDUCING THIAZOLIDINONE WITH TWO MOLES OF AN ALKALI OR ALKALI-EARTH METALS IN PRESENCE OF AMMONIA OR AMINE; ANTIINFLAMMATORY AGENT ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
WO-1996019466-A1 PROCESS FOR PREPARING BENZYL-SUBSTITUTED RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-27 WO disclosed