SCHEMBL8129608

SCHEMBL8129608

CC(=CC(=O)O)c1ccccc1.N#CC(=CC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DEGS1 O15121 1/20 0.42
TBXAS1 P24557 2/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.38

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
Ethane SCHEMBL21462500 0.90 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL19471869 0.89 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL670068 0.89 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL305984 0.89 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9468123 0.88 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9468126 0.88 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
Hydrochloric Acid SCHEMBL11318740 0.88 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9468108 0.88 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL1536443 0.84 NR4A2 (0.60) NR4A2NR4A1NR4A3SMN1; SMN2ALDH1A1
SCHEMBL582234 0.84 NR4A2 (0.60) NR4A2NR4A1NR4A3SMN1; SMN2ALDH1A1

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-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 WO disclosed