SCHEMBL3454646

SCHEMBL3454646

Cc1ccc(C=C(c2ccc(C)cc2)c2ccccc2-c2ccc(-c3ccccc3C(=Cc3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
ESR1 P03372 2/20 0.39
MAPT P10636 4/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
AKR1C3 P42330 1/20 0.36
CYP19A1 P11511 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5047517 0.84 PTGS2 (0.51) PTGS2ESR1MAPTESR2NPC1
SCHEMBL29817613 0.79 PTGS2 (0.47) PTGS2ESR1MAPTNPC1POLB
SCHEMBL175389 0.77 PTGS2 (0.44) PTGS2ESR1MAPTESR2NPC1
SCHEMBL5945849 0.76 ESR1 (0.53) PTGS2ESR1ESR2ALDH1A1AKR1C3
SCHEMBL9026538 0.76 PTGS2 (0.73) PTGS2ESR1MAPTESR2NPC1
SCHEMBL9026535 0.76 PTGS2 (0.73) PTGS2ESR1MAPTESR2NPC1
SCHEMBL8053369 0.75 PTGS2 (0.69) PTGS2ESR1MAPTESR2KDM4E
SCHEMBL2925327 0.75 PTGS2 (0.69) PTGS2ESR1MAPTESR2KDM4E
SCHEMBL9806382 0.74 PTGS2 (0.70) PTGS2ESR1MAPTESR2NPC1
SCHEMBL2509405 0.73 PTGS2 (0.42) PTGS2ESR1MAPTNPC1POLB

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-7811947-B2 Optical substrate, light emitting element, display device and manufacturing methods thereof NEC CORPORATION (JP) 2010-10-12 US disclosed
US-20080220554-A1 OPTICAL SUBSTRATE, LIGHT EMITTING ELEMENT, DISPLAY DEVICE AND MANUFACTURING METHODS THEREOF NEC CORPORATION (JP) 2008-09-11 US disclosed