SCHEMBL5796673

SCHEMBL5796673

CCOCCOc1ccc(C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
NCF1 P14598 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
THRA P10827 1/20 0.39
GPR174 Q9BXC1 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL5813609 0.87 ESR1 (0.40) L3MBTL1NCF1TDP1CYP1A2CYP2D6
SCHEMBL28233468 0.82 LTA4H (0.53) GPR174NPC1TP53RAB9ATSHR
SCHEMBL30985950 0.80 ALDH1A1 (0.53) PPARGPPARAGPR174ESR1ESR2
SCHEMBL577071 0.80 ALDH1A1 (0.53) PPARGPPARAGPR174ESR1ESR2
SCHEMBL8681925 0.78 ESR1 (0.44) GPR174ESR1ESR2RECQLLTA4H
SCHEMBL8686830 0.77 ESR1 (0.43) GPR174ESR1ESR2RECQL
SCHEMBL4061378 0.76 NQO1 (0.57) L3MBTL1NCF1TDP1CYP1A2CYP2D6
SCHEMBL19086893 0.74 POLB (0.48) TDP1PPARGPPARAESR1ESR2
SCHEMBL215246 0.74 KCNA3 (0.58) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL9150174 0.74 KDM4E (0.56) L3MBTL1NCF1TDP1CYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006096399-A2 DICARBAZOLE AROMATIC AMINE POLYMERS AND ELECTRONIC DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-14 WO disclosed
WO-2006096332-A2 BISCARBAZOL-9-YL-SUBSTITUTED TRIARYLAMINE-CONTAINING POLYMERS AND ELECTRONIC DEVICES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2006-09-14 WO disclosed
WO-2006060437-A2 SALICYLATE SUBSTITUTED CONJUGATED POLYMERS AND DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 WO disclosed