SCHEMBL25639629

SCHEMBL25639629

COc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.81
HPN P05981 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
TNFRSF1A P19438 2/20 0.37

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
SCHEMBL8100563 0.95 VCAM1 (0.90) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL8353431 0.92 VCAM1 (0.82) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL13260389 0.90 VCAM1 (0.81) VCAM1HPNMAPTALOX15SIRT5
Succinobucol SCHEMBL347492 0.90 VCAM1 (1.00) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL8258176 0.87 VCAM1 (0.77) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL8354007 0.86 VCAM1 (0.77) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL12109918 0.84 VCAM1 (0.68) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6054982 0.83 VCAM1 (0.92) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL19220490 0.83 VCAM1 (0.71) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL12103783 0.82 VCAM1 (0.69) VCAM1HPNMAPTALOX15SIRT5

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
WO-2023102613-A1 BILE ACID CONJUGATE CURTIN UNIVERSITY (AU) 2023-06-15 WO disclosed