SCHEMBL29045152

SCHEMBL29045152

NC(=O)OCCOc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PPARG P37231 4/20 0.58
PPARD Q03181 3/20 0.58
PPARA Q07869 3/20 0.58
PTPN7 P35236 1/20 0.56
ALDH1A1 P00352 1/20 0.54
AGXT P21549 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 1/20 0.52
CPT2 P23786 1/20 0.51
CPT1A P50416 1/20 0.51
CPT1B Q92523 1/20 0.51
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL10597694 0.86 KDM4E (0.65) KDM4EMAPK1TDP1PPARGPPARD
SCHEMBL21422363 0.83 KDM4E (0.61) KDM4EMAPK1TDP1PPARGPPARD
SCHEMBL3433405 0.82 TDP1 (0.59) KDM4EMAPK1TDP1PPARGPPARD
SCHEMBL16902851 0.82 TDP1 (0.87) KDM4EMAPK1TDP1PPARGPTPN7
SCHEMBL28354772 0.81 CYP2C9 (0.49) KDM4EMAPK1TDP1PPARGPPARD
SCHEMBL10337621 0.81 KDM4E (0.58) KDM4EMAPK1TDP1PPARGPPARD
SCHEMBL6677595 0.80 PARP10 (0.65) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL2005477 0.80 CYP1A2 (0.53) PPARGPPARDPPARANPC1MAPT
SCHEMBL15146233 0.80 KDM4E (0.70) KDM4EMAPK1TDP1PPARGPPARD
SCHEMBL22924935 0.80 KDM4E (0.70) KDM4EMAPK1TDP1PPARGPPARD

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
CN-116134015-A Selective acyclic nucleotide activating factor for CAMP sensor EPAC1 得克萨斯州大学系统董事会 2023-05-16 CN disclosed