SCHEMBL8766838

SCHEMBL8766838

O=C(O)c1c(C23CC4CC(CC(C4)C2)C3)cc2ccccc2c1-c1ccccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
RARA P10276 3/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
SLC37A4 O43826 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL8766827 0.77 WDR5 (0.40) MEN1KMT2ARARBRARGRARA
SCHEMBL9318119 0.76 RARB (0.44) MEN1KMT2ARARBRARGRARA
SCHEMBL28544087 0.74 DRD2 (0.38) KDM4EFAAHDRD2
SCHEMBL8322327 0.73 MEN1 (0.46) MEN1KMT2ARARBRARGRARA
SCHEMBL17323573 0.72 MEN1 (0.45) MEN1KMT2ARARBRARGRARA
SCHEMBL29929549 0.72 KMT2A (0.47) MEN1KMT2ARARBRARGRARA
SCHEMBL8322639 0.72 KMT2A (0.47) MEN1KMT2ARARBRARGRARA
SCHEMBL8323852 0.72 MEN1 (0.41) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL8322293 0.71 RARB (0.43) MEN1KMT2ARARBRARGRARA
SCHEMBL7759671 0.71 RARG (0.53) MEN1KMT2ARARBRARGRARA

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-0584191-B1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS CIRD GALDERMA (FR) 1997-08-13 EP disclosed