SCHEMBL6975607

SCHEMBL6975607

Cc1ccc(C(=O)CC(=O)O)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.61
KMT2A Q03164 4/20 0.61
POLB P06746 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.44
ERCC5 P28715 2/20 0.41
FEN1 P39748 2/20 0.41

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
SCHEMBL279619 0.82 DAO (0.59) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL15979700 0.81 DAO (0.61) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL6781684 0.81 DAO (0.52) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL280123 0.79 DAO (0.55) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL4140001 0.79 DAO (0.59) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL9372669 0.79 DAO (0.59) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL14157094 0.78 POLB (0.50) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL5551328 0.78 DAO (0.48) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL22721115 0.78 DAO (0.57) DAOKMT2APOLBTDP1ALDH1A1
SCHEMBL6394534 0.78 GSK3B (0.62) DAOKMT2APOLBTDP1ALDH1A1

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-1240162-B1 NOVEL DERIVATIVES OF 3-IMINO-1,2-DITHIOLES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2003-05-14 EP disclosed
EP-1240162-A2 NOVEL DERIVATIVES OF 3-IMINO-1,2-DITHIOLES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Les Laboratoires Servier (FR) 2002-09-18 EP disclosed
WO-2001046180-A2 NOVEL DERIVATIVES OF 3-IMINO-1,2-DITHIOLES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2001-06-28 WO disclosed