SCHEMBL2313006

SCHEMBL2313006

O=c1c2ccc(CCO)cc2sc2c(CCO)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
GAA P10253 1/20 0.33
BACE1 P56817 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
AKR1B1 P15121 1/20 0.31
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL2307290 0.89 CYP19A1 (0.40) CYP19A1ALDH1A1MAPTHCRTR1LMNA
SCHEMBL2310829 0.84 CYP19A1 (0.53) CYP19A1ALDH1A1MAPTHCRTR1LMNA
SCHEMBL2315780 0.82 KDM4E (0.42) ALDH1A1MAPTL3MBTL1KDM4EALOX5
SCHEMBL2308024 0.82 CYP19A1 (0.40) CYP19A1ALDH1A1MAPTHCRTR1LMNA
SCHEMBL2309971 0.81 KDM4E (0.47) ALDH1A1MAPTHCRTR1LMNAPOLB
SCHEMBL2310251 0.81 MAOA (0.37) ALDH1A1MAPTPOLBKDM4EALOX5
SCHEMBL4027297 0.79 CYP19A1 (0.42) CYP19A1ALDH1A1MAPTHCRTR1LMNA
SCHEMBL2309599 0.77 CYP19A1 (0.40) CYP19A1ALDH1A1MAPTHCRTR1LMNA
SCHEMBL2308278 0.77 KDM4E (0.41) ALDH1A1MAPTHCRTR1LMNAPOLB
SCHEMBL2308573 0.77 MAPT (0.48) CYP19A1ALDH1A1MAPTHCRTR1LMNA

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-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed