SCHEMBL9769807

SCHEMBL9769807

O=C(Oc1cc(C2CCCCC2)cc(C2CCCCC2)c1)c1ccccc1Oc1cc(C2CCCCC2)cc(C2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
KMO O15229 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL9769802 0.88 KMO (0.45) SCN1ASCN2ASCN3AKDM4ECYP1A2
SCHEMBL9769792 0.86 CASP1 (0.48) SCN1ASCN2ASCN3AKDM4ECYP1A2
SCHEMBL11323409 0.77 ALDH1A1 (0.46) KDM4EMAPTHTTCASP1KMO
SCHEMBL28917895 0.74 ALDH1A1 (0.49) KDM4EMAPTCYP3A4HTTALDH1A1
SCHEMBL9251165 0.71 PTGDR2 (0.45) SCN1ASCN2ASCN3AKDM4ECYP1A2
SCHEMBL767125 0.71 CTNNB1 (0.65) SCN1ASCN2ASCN3AKDM4ECYP1A2
SCHEMBL11323401 0.71 PTGDR2 (0.57) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16270485 0.70 HAO1 (0.40) MAPTKMOGAAKMT2AACMSD
SCHEMBL1788443 0.70 HSD17B10 (0.51) KDM4EMAPTCYP3A4HTTALDH1A1
SCHEMBL30091431 0.70 HSD17B10 (0.51) KDM4EMAPTCYP3A4HTTALDH1A1

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