SCHEMBL13300773

SCHEMBL13300773

Oc1ccccc1-n1n2c3ccc(CCCc4ccc5c(c4)n4n(-c6ccccc6O)n54)cc3n12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ PLA2G4A P47712 1/20 0.38
▸ SLC28A3 Q9HAS3 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CALM1 P0DP23 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ SGMS1 Q86VZ5 1/20 0.33
▸ SGMS2 Q8NHU3 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
SCHEMBL13300771 0.83 KDM4E (0.33) ALOX15IGF1RPLA2G4AHTR1AHTR2C
SCHEMBL9906590 0.77 KCNMA1 (0.46) ALOX15KDM4EPOLBGAA
SCHEMBL13102606 0.76 NPC1 (0.44) ALOX15IGF1R
SCHEMBL23621418 0.76 GAA (0.40) ALOX15KDM4EPOLBGAAACHE
SCHEMBL9002510 0.61 LMNA (0.53) ALOX15KDM4EPOLBGAA
SCHEMBL14354914 0.61 TRPA1 (0.43) ALOX15GAAACHE
SCHEMBL107170 0.61 ALOX15 (0.90) ALOX15IGF1RHTR1AKDM4EGAA
SCHEMBL7096457 0.60 MPO (0.54) ALOX15IGF1R
SCHEMBL20930919 0.60 ALDH1A1 (0.38) ALOX15KDM4EPOLBGAAACHE
SCHEMBL16113740 0.59 SOX18 (0.56) ALOX15IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137578-A1 CELLULOSE ESTER FILM FOR OPTICAL USE, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING SUCH CELLULOSE ESTER FILM FOR OPTICAL USE KONICA MINOLTA OPTO, INC. (JP) 2010-06-03 — — US disclosed
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