SCHEMBL9769792

SCHEMBL9769792

O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTT P42858 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL11323409 0.89 ALDH1A1 (0.46) CASP1KDM4EMAPTHPGDHTT
SCHEMBL9769807 0.86 SCN1A (0.42) CASP1SCN1ASCN2ASCN3AKDM4E
SCHEMBL9769802 0.83 KMO (0.45) SCN1ASCN2ASCN3AKDM4EMAPT
SCHEMBL6813640 0.80 ALDH1A1 (0.48) CASP1KDM4EMAPTNPSR1HPGD
SCHEMBL3737608 0.79 KMT2A (0.56) MAPTALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL767125 0.77 CTNNB1 (0.65) SCN1ASCN2ASCN3AKDM4EMAPT
SCHEMBL5706061 0.77 TSHR (0.44) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL7184670 0.76 KMT2A (0.54) MAPTNPSR1HPGDXBP1CYP1A2
SCHEMBL1790370 0.76 ALDH1A1 (0.51) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4382990 0.75 CYP1A2 (0.65) MAPTNPSR1HPGDXBP1CYP1A2

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-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed