SCHEMBL13730740

SCHEMBL13730740

CCCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.48
RAB9A P51151 4/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.44
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 3/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL12228055 0.94 PDK2 (0.52) PDK2RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL17050179 0.94 PDK2 (0.52) PDK2RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL17445908 0.92 PDK2 (0.50) PDK2RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL17445910 0.92 PDK2 (0.50) PDK2RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL23542472 0.88 RAB9A (0.44) RAB9AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL14601353 0.88 MAPT (0.46) PDK2RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL12190067 0.87 PDK2 (0.50) PDK2RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21215167 0.87 PDK2 (0.47) PDK2RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL27878249 0.87 LTA4H (0.55) PDK2MAPTSMN1; SMN2LMNAMEN1
SCHEMBL13729302 0.87 PDK2 (0.48) PDK2RAB9AMAPTSMN1; SMN2LMNA

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-20090207490-A1 Retardation film and polyester resin for optical use TORAY INDUSTRIES, INC. (JP) 2009-08-20 US disclosed