SCHEMBL8459019

SCHEMBL8459019

CCOCOc1c(-c2ccccc2O)ccc2cc(OC)c(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
RARA P10276 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HSPD1 P10809 1/20 0.37
GOT1 P17174 1/20 0.37
GLRA1 P23415 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR1 P21453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 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
SCHEMBL8459847 0.88 IKBKB (0.46) IKBKBIDO1TDO2RARAMEN1
Hydrochloric Acid SCHEMBL8457480 0.87 IKBKB (0.45) IKBKBIDO1TDO2RARAMEN1
SCHEMBL7926568 0.86 RARA (0.41) IKBKBIDO1TDO2RARAMEN1
SCHEMBL7102156 0.82 RARA (0.44) IKBKBRARAMEN1KMT2ARARB
SCHEMBL7920725 0.81 RARG (0.54) IKBKBRARAMEN1KMT2ARARB
Hydrochloric Acid SCHEMBL7929378 0.80 RARG (0.53) IKBKBRARAMEN1KMT2ARARB
SCHEMBL7096456 0.78 RARG (0.49) IKBKBIDO1TDO2RARAMEN1
SCHEMBL7920676 0.77 IKBKB (0.42) IKBKBIDO1TDO2RARAMEN1
SCHEMBL8459021 0.75 RARA (0.44) IKBKBRARAMEN1KMT2ARARB
SCHEMBL7927661 0.74 KMT2A (0.42) IKBKBTDO2RARAMEN1KMT2A

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
US-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US disclosed