SCHEMBL7825925

SCHEMBL7825925

CC/C(=C/c1ccccc1OC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
LMNA P02545 4/20 0.61
KDM4E B2RXH2 3/20 0.61
PKM P14618 1/20 0.61
MAPT P10636 5/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 2/20 0.57
PLIN1 O60240 1/20 0.57
PLIN5 Q00G26 1/20 0.57
ABHD5 Q8WTS1 1/20 0.57
NFE2L2 Q16236 3/20 0.51
TFEB P19484 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
BCHE P06276 1/20 0.49
TRPA1 O75762 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GLO1 Q04760 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL7825926 1.00 KMT2A (0.61) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL28893878 0.86 KDM4E (0.58) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL20424901 0.86 KDM4E (0.58) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL2288436 0.85 KMT2A (0.46) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL2690714 0.83 PPARG (0.50) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL7824349 0.83 PTGES (0.55) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL7824347 0.83 PTGES (0.55) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL28418455 0.80 LMNA (0.47) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL998236 0.80 LMNA (0.64) KMT2ALMNAKDM4EPKMMAPT
SCHEMBL3327232 0.79 MAPT (0.51) KMT2ALMNAKDM4EMAPTMEN1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed