SCHEMBL15569650

SCHEMBL15569650

CC(C(=O)O)(C(=O)O)n1nc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
SLC22A12 Q96S37 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
CYP1A2 P05177 2/20 0.36
POLB P06746 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 4/20 0.35
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PKM P14618 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 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
SCHEMBL3508542 0.75 PPARG (0.39) PPARGPPARAKDM4EHPGDSLC22A12
SCHEMBL27426760 0.74 KDM4E (0.39) PPARGPPARAKDM4EHPGDSMN1; SMN2
SCHEMBL10233410 0.73 HPGD (0.42) PPARGPPARAKDM4EHPGDSMN1; SMN2
SCHEMBL1938057 0.69 CYP1A2 (0.37) PPARGPPARAKDM4EHPGDSMN1; SMN2
SCHEMBL523395 0.67 HPGD (0.46) PPARGPPARAKDM4EHPGDSMN1; SMN2
SCHEMBL13604172 0.67 GAA (0.50) KDM4EHPGDALDH1A1MAPTPOLB
SCHEMBL19738601 0.67 KDM4E (0.37) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL19738682 0.67 KDM4E (0.37) KDM4EHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL8143932 0.66 NPC1 (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL11985476 0.65 ALDH1A1 (0.46) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014027566-A1 METHOD OF PREVENTING OXIDATION AND METHOD OF PRODUCING A SEMICONDUCTOR PRODUCT FUJIFILM CORPORATION (JP) 2014-02-20 WO disclosed