SCHEMBL8671069

SCHEMBL8671069

[CH](Cc1cccc(OCC2CC2)c1)c1cccc(OCC2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.54
TLR2 O60603 2/20 0.54
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
DUT P33316 1/20 0.40
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL27816609 0.82 TLR4 (0.47) TLR4TLR2KDM5AKDM4CNR1H4
SCHEMBL510470 0.81 TLR4 (0.63) TLR4TLR2MAOAMAOBNR1H4
SCHEMBL8670655 0.78 SMN1; SMN2 (0.51) MAOAMAOB
SCHEMBL4569068 0.77 TLR4 (0.61) TLR4TLR2MAOAMAOB
SCHEMBL8674540 0.77 MAOB (0.71) TLR4TLR2MAOAMAOB
SCHEMBL27996038 0.77 TLR4 (0.48) TLR4TLR2MAOAMAOB
SCHEMBL3967903 0.77 TLR4 (0.54) TLR4TLR2MAOAMAOB
SCHEMBL16902898 0.76 KDM5A (0.48) TLR4TLR2MAOAMAOBKDM5A
SCHEMBL11942141 0.76 ALDH1A1 (0.51) TLR4TLR2KDM5AKDM4C
SCHEMBL1408716 0.76 TLR4 (0.47) TLR4TLR2MAOBKDM5AKDM4C

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-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed