SCHEMBL9425399

SCHEMBL9425399

CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2O)c(OC)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.84
NPC1 O15118 2/20 0.84
MEN1 O00255 2/20 0.84
MAPK1 P28482 2/20 0.84
KMT2A Q03164 2/20 0.84
RAB9A P51151 1/20 0.84
APP P05067 5/20 0.70
CHRNA7 P36544 1/20 0.69
PTPN1 P18031 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
CYP1A1 P04798 1/20 0.60
CYP1B1 Q16678 1/20 0.60
ABCG2 Q9UNQ0 3/20 0.59
FLT3 P36888 1/20 0.59
TNFRSF1A P19438 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL9425402 1.00 MAPT (0.84) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL634358 0.92 MAPT (1.00) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL634357 0.92 MAPT (1.00) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL28681178 0.89 MAPT (0.95) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL7634371 0.87 MAPT (0.77) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL14769357 0.86 MAPT (0.80) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL25212956 0.83 APP (0.80) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL4786710 0.83 APP (0.80) MAPTNPC1MEN1MAPK1KMT2A
SCHEMBL9112510 0.83 TNFRSF1A (0.80) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL9112505 0.83 TNFRSF1A (0.80) MAPTNPC1MEN1KMT2ARAB9A

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
US-5278184-A Synthetic derivatives of pyrrole and pyrrolidine suitable for the therapy of infections caused by rhinoviruses REPLA CHEMICAL LTD. (LI) 1994-01-11 US disclosed
EP-0509469-A1 Synthetic compounds suitable for the therapy of infections caused by rhinoviruses REPLA CHEMICAL LTD. (LI) 1992-10-21 EP disclosed