SCHEMBL14010663

SCHEMBL14010663

COc1ccc(/C(=C/c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
AKR1C3 P42330 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PADI4 Q9UM07 1/20 0.40
ALOX5 P09917 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
ACACA Q13085 1/20 0.40
ACHE P22303 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2085352 0.82 CYP19A1 (0.42) ALOX5GPR84ESR1ESR2
SCHEMBL19639003 0.79 CYP19A1 (0.42) ALOX5GPR84ESR1ESR2
SCHEMBL13085141 0.79 ESR1 (0.39) ALDH1A1HPGDMAPTKDM4ECYP2D6
SCHEMBL1304422 0.77 MAPT (0.85) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL8049692 0.77 MAPT (0.85) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL1304425 0.77 MAPT (0.85) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL2964613 0.77 CES2 (0.47) ALDH1A1HPGDMAPTKDM4EAKR1C3
SCHEMBL8049689 0.77 MAPT (0.85) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL2213482 0.77 MAPT (0.49) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL11976790 0.76 KDM4E (0.46) ALDH1A1HPGDMAPTKDM4EAKR1C3

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-20080278065-A1 Organic Electroluminescent Element and Display Apparatus SONY CORPORATION (JP) 2008-11-13 US disclosed
US-20080278065-A1 Organic Electroluminescent Element and Display Apparatus SONY CORPORATION (JP) 2008-11-13 US disclosed