SCHEMBL12593243

SCHEMBL12593243

CCCCCCCCOc1cc2oc3cc(C)c(C)cc3c2cc1OCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 2/20 0.45
LTB4R Q15722 2/20 0.41
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
ESR1 P03372 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
S1PR5 Q9H228 2/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36

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
SCHEMBL16806178 0.98 PGAM1 (0.44) PGAM1LTB4RTHRATHRBESR1
SCHEMBL12593246 0.98 PGAM1 (0.43) PGAM1LTB4RTHRATHRBESR1
SCHEMBL12396849 0.94 PGAM1 (0.45) PGAM1LTB4RTHRATHRBESR1
SCHEMBL14545752 0.94 PGAM1 (0.43) PGAM1LTB4RESR1KDM4EALDH1A1
SCHEMBL12593188 0.92 PGAM1 (0.43) PGAM1LTB4RTHRATHRBESR1
SCHEMBL10358933 0.90 PGAM1 (0.47) PGAM1LTB4RTHRATHRBESR1
SCHEMBL20005771 0.90 PGAM1 (0.47) PGAM1LTB4RTHRATHRBESR1
SCHEMBL14523491 0.90 PGAM1 (0.47) PGAM1LTB4RTHRATHRBESR1
SCHEMBL12743766 0.89 PGAM1 (0.45) PGAM1LTB4RTHRATHRBESR1
SCHEMBL19669305 0.85 PGAM1 (0.43) PGAM1LTB4RTHRATHRBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110121278-A1 SOLUTION COMPOSITION AND POLYMER LIGHT-EMITTING DEVICE SUMITOMO CHEMICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7910025-B2 Solution composition and polymer light-emitting device SUMITOMO CHEMICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080061673-A1 Solution Composition And Polymer Light-Emitting Device SUMITOMO CHEMICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-7208567-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-24 US disclosed