SCHEMBL4070816

SCHEMBL4070816

O=C(Cc1ccccc1)c1ccc2c(c1)Cc1cc(C(=O)Cc3ccccc3)ccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.58
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PLAU P00749 1/20 0.51
S1PR5 Q9H228 1/20 0.48
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2B P41595 1/20 0.47
GAA P10253 1/20 0.46
SRD5A1 P18405 1/20 0.46
GRM1 Q13255 2/20 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
SCHEMBL15393644 0.81 NPC1 (0.53) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7129800 0.78 MAPT (0.80) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8535923 0.78 SRD5A2 (0.69) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL1114930 0.77 RAB9A (0.56) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10994744 0.77 SRD5A2 (0.68) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL30935799 0.76 MAPT (0.63) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL1115098 0.76 MAPT (0.63) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7786912 0.75 SRD5A2 (0.66) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10967373 0.75 SRD5A2 (0.66) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10968921 0.75 SRD5A2 (0.66) SRD5A2RAB9ANPC1KDM4ESMN1; SMN2

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
WO-2009058396-A1 NEGATIVE BIREFRINGENT OPTICAL FILMS WITH FLAT OR REVERSED BIREFRINGENCE WAVELENGTH DISPERSIONS FOR LIQUID CRYSTAL DISPLAYS AKRON POLYMER SYSTEMS INC. (US) 2009-05-07 WO disclosed