SCHEMBL9775490

SCHEMBL9775490

COC=C(C(=O)OC)c1ccccc1[C@@H]1O[C@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EDNRA P25101 1/20 0.33
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9775451 1.00 BRD4 (0.37) BRD4SMN1; SMN2MEN1CYP3A4MAPT
SCHEMBL9518225 1.00 BRD4 (0.37) BRD4SMN1; SMN2MEN1CYP3A4MAPT
SCHEMBL9515884 1.00 BRD4 (0.37) BRD4SMN1; SMN2MEN1CYP3A4MAPT
SCHEMBL9775489 0.89 BRD4 (0.39) BRD4SMN1; SMN2MEN1CYP3A4MAPT
SCHEMBL9775453 0.89 BRD4 (0.39) BRD4SMN1; SMN2MEN1CYP3A4MAPT
SCHEMBL1426471 0.72 NPC1 (0.43) SMN1; SMN2MEN1KMT2AL3MBTL1POLB
SCHEMBL1223756 0.72 LMNA (0.55) SMN1; SMN2CYP3A4MAPTKDM4ETSHR
SCHEMBL1223761 0.72 LMNA (0.55) SMN1; SMN2CYP3A4MAPTKDM4ETSHR
SCHEMBL29721816 0.72 LMNA (0.55) SMN1; SMN2CYP3A4MAPTKDM4ETSHR
SCHEMBL1426474 0.72 NPC1 (0.43) SMN1; SMN2MEN1KMT2AL3MBTL1POLB

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
US-5077303-A OXIRANE PHENYL ESTERS AND FUNGICIDES CONTAINING THESE BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed