SCHEMBL8847239

SCHEMBL8847239

CCC(C)=C(C)C#CCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
PTPN7 P35236 5/20 0.37
HMGCR P04035 3/20 0.37
FFAR3 O14843 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
RECQL P46063 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
BLM P54132 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
SCHEMBL8847421 0.71 FFAR1 (0.39) EPHX2PTPN7HMGCRFFAR3HDAC3
SCHEMBL2396 0.71 LMNA (0.42) EPHX2PTPN7HMGCRFFAR3HDAC3
SCHEMBL21848002 0.70 LMNA (0.36) EPHX2PTPN7HMGCRFFAR3HDAC3
SCHEMBL4972079 0.69 LMNA (0.53) EPHX2PTPN7HMGCRFFAR3HDAC3
SCHEMBL3104209 0.69
SCHEMBL9823904 0.69 LMNA (0.40) EPHX2PTPN7HMGCRFFAR3HDAC3
SCHEMBL8847424 0.69 PTPN7 (0.56) EPHX2PTPN7HMGCRFFAR3HDAC3
SCHEMBL10163042 0.68 EPHX2 (0.38) EPHX2PTPN7HMGCRFFAR3HDAC3
Succinic Acid SCHEMBL3872448 0.67 LMNA (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL577217 0.66

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-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP claimed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO claimed