SCHEMBL6571522

SCHEMBL6571522

COc1cc(-c2ccc3c(C(=O)O)cccc3c2)cc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.54
RARG P13631 8/20 0.54
RARA P10276 6/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
PGR P06401 1/20 0.54
HSPD1 P10809 1/20 0.54
GOT1 P17174 1/20 0.54
GLRA1 P23415 1/20 0.54
BLM P54132 1/20 0.54
HSPE1 P61604 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3322258 0.90 RARB (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL6535734 0.82 RARG (0.80) RARBRARGRARAMEN1KMT2A
SCHEMBL851508 0.81 RARA (0.60) RARBRARGRARAMEN1KMT2A
SCHEMBL3322256 0.79 KMT2A (0.48) RARBRARGRARAMEN1KMT2A
SCHEMBL3350688 0.78 RARB (0.54) RARBRARGRARAMEN1KMT2A
SCHEMBL980532 0.77 RARB (0.69) RARBRARGRARAMEN1KMT2A
SCHEMBL9334078 0.76 RARB (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL4747624 0.74 RARB (0.61) RARBRARGRARAMEN1KMT2A
SCHEMBL9078617 0.73 RARA (0.64) RARBRARGRARAMEN1KMT2A
SCHEMBL1074076 0.72 PKM (0.57) RARBRARGRARAMEN1KMT2A

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
EP-0920312-B1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-08 EP claimed