SCHEMBL11501586

SCHEMBL11501586

CCCCCC(C)NC(=O)N=C(N)NCCCN(C)CCCNC(N)=NC(=O)NC(C)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ MLYCD O95822 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL11501703 0.81 DNM1 (0.44) DNM1EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL11573574 0.79 USP2 (0.40) GNAI3GNAO1GNAI1CYP2C19SMN1; SMN2
SCHEMBL11572940 0.74 GNAI3 (0.43) EPHX1DPP7GNAI3GNAO1GNAI1
SCHEMBL11501585 0.69 MLYCD (0.34) EPHX1DPP7GNAI3GNAO1GNAI1
SCHEMBL13755916 0.69 FAAH (0.42) DNM1EPHX1MAPK1KDM5AKDM5C
SCHEMBL13756039 0.68 FAAH (0.41) DNM1EPHX1MAPK1KDM5AKDM5C
SCHEMBL13756015 0.68 FAAH (0.41) DNM1EPHX1MAPK1KDM5AKDM5C
SCHEMBL13756161 0.68 FAAH (0.41) DNM1EPHX1MAPK1KDM5AKDM5C
SCHEMBL9683898 0.68 ADH1B (0.47) EPHX1MLYCDMAPK1
SCHEMBL18596029 0.68 ADH1B (0.47) EPHX1MLYCDMAPK1

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-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US disclosed
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