SCHEMBL810987

SCHEMBL810987

CCCOc1cccc(C(=O)O)c1OCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 2/20 0.51
PTK2B Q14289 1/20 0.51
MAPK1 P28482 1/20 0.50
MEN1 O00255 3/20 0.48
FABP3 P05413 2/20 0.48
FABP4 P15090 2/20 0.48
FABP5 Q01469 2/20 0.48
HIF1A Q16665 2/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 2/20 0.45
CHRM2 P08172 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
NR1I2 O75469 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL28487041 0.93 KMT2A (0.46) KMT2AALDH1A1PTK2BMAPK1MEN1
SCHEMBL9774307 0.92 KMT2A (0.51) KMT2AALDH1A1PTK2BMAPK1MEN1
SCHEMBL13607844 0.90 HTT (0.53) KMT2AALDH1A1PTK2BMAPK1CNR2
SCHEMBL8080660 0.90 MEN1 (0.57) KMT2AMEN1CNR1CNR2LMNA
SCHEMBL28423414 0.90 KMT2A (0.53) KMT2AALDH1A1PTK2BMAPK1MEN1
SCHEMBL8081846 0.89 LMNA (0.60) KMT2AALDH1A1MEN1CNR1CNR2
SCHEMBL8081832 0.89 LMNA (0.60) KMT2AALDH1A1MEN1CNR1CNR2
SCHEMBL9417688 0.89 LMNA (0.60) KMT2AALDH1A1MEN1CNR1CNR2
SCHEMBL8085142 0.89 LMNA (0.60) KMT2AALDH1A1MEN1CNR1CNR2
SCHEMBL8086789 0.89 LMNA (0.60) KMT2AALDH1A1MEN1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113062-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2021-06-10 WO disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed