SCHEMBL8805459

SCHEMBL8805459

Cc1cc(C(=O)O)sc1CCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.40
GPR35 Q9HC97 3/20 0.37
HPGD P15428 1/20 0.36
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL7836036 0.85 CYP4A11 (0.44) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL2654739 0.79 DAO (0.52) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL7832722 0.78 DAO (0.50) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL6999104 0.78 DAO (0.46) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL2064505 0.75 MAPT (0.50) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL13269283 0.72 KDM4E (0.44) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL27760636 0.69 GPR35 (0.51) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL6999107 0.69 KDM4E (0.54) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL835069 0.69 DAO (1.00) DAOKDM4EALDH1A1MAPTMEN1
SCHEMBL2653080 0.68 CYP4A11 (0.43) DAOKDM4EALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773943-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996003406-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-08 WO disclosed