SCHEMBL6139745

SCHEMBL6139745

Cc1cc(C=C(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3C)c(C)c2)c2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3C)c(C)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
CYP19A1 P11511 2/20 0.39
CYP11B2 P19099 2/20 0.39
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL12533941 0.84 PTGS2 (0.45) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL13050004 0.84 PTGS2 (0.45) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL6139954 0.83 ALDH1A1 (0.33) PTGS2ALDH1A1MAPTMAPK1RAB9A
SCHEMBL6139953 0.83 ALDH1A1 (0.33) PTGS2ALDH1A1MAPTMAPK1RAB9A
SCHEMBL13141938 0.81 CYP19A1 (0.60) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL14491187 0.80 PTGS2 (0.42) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL13050003 0.80 PTGS2 (0.44) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL14003819 0.80 PTGS2 (0.42) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL10092965 0.80 PTGS2 (0.50) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL13050001 0.79 PTGS2 (0.52) PTGS2CYP19A1CYP11B2ESR1MAPT

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-20050031902-A1 Organic EL device, method of manufacturing the same, and electronic apparatus SEIKO EPSON CORPORATION (JP) 2005-02-10 US disclosed
EP-1505647-A2 Organic EL device, method of manufacturing the same and electronic apparatus Seiko Epson Corporation (JP) 2005-02-09 EP disclosed