SCHEMBL25384697

SCHEMBL25384697

COc1c(Br)c(O)c(C(C)=O)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
KCNA3 P22001 2/20 0.44
CYP3A4 P08684 2/20 0.39
KCNA2 P16389 1/20 0.38
KCNA4 P22459 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNA1 Q09470 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25383713 0.86 PTPN1 (0.50) PTPN1KCNA3CYP3A4KCNA2KCNA4
SCHEMBL678486 0.82 KCNA3 (0.53) KCNA3CYP3A4KCNA2KCNA4KCNA5
SCHEMBL10678395 0.77 PTPN1 (0.48) PTPN1CYP3A4CA12CA9CA2
SCHEMBL5475366 0.74 CYP3A4 (0.40) PTPN1CYP3A4CA12CA9CA2
SCHEMBL684711 0.72 KCNA3 (0.49) KCNA3CYP3A4
SCHEMBL25384268 0.72 PTPN1 (0.44) PTPN1KCNA3KCNA2KCNA4KCNA5
SCHEMBL4108349 0.71 KCNA3 (0.47) PTPN1KCNA3CYP3A4KCNA2KCNA4
SCHEMBL9333813 0.71 PTPN1 (0.64) PTPN1CA12CA9CA2CA4
SCHEMBL9752628 0.71 CYP3A4 (0.52) KCNA3CYP3A4LMNAUSP2MAPK1
SCHEMBL25952524 0.71 CYP3A4 (0.52) KCNA3CYP3A4LMNAUSP2MAPK1

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
WO-2023127291-A1 METHOD FOR PRODUCING DEMETHYLNOBILETIN 花王株式会社 2023-07-06 WO disclosed
WO-2023127291-A1 METHOD FOR PRODUCING DEMETHYLNOBILETIN 花王株式会社 2023-07-06 WO disclosed