SCHEMBL30416895

SCHEMBL30416895

c1ccc(CCCOC2CCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4C Q9H3R0 1/20 0.52
OPRM1 P35372 3/20 0.51
OPRK1 P41145 2/20 0.49
OPRD1 P41143 1/20 0.49
PTAFR P25105 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
IDO1 P14902 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL1008487 0.96 MEN1 (0.54) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL14469419 0.95 MEN1 (0.55) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL8500626 0.95 MEN1 (0.55) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL31419831 0.95 MEN1 (0.51) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL9574209 0.93 MEN1 (0.53) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL6879618 0.91 KDM4C (0.58) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL1008376 0.90 MEN1 (0.53) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL14411450 0.89 MEN1 (0.50) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL13423730 0.89 MEN1 (0.50) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL10683709 0.89 KMT2A (0.56) MEN1KMT2AKDM4COPRM1HRH3

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
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed