SCHEMBL8458020

SCHEMBL8458020

O=C(O)c1c(OCCCCCCCC23CC4CC(CC(C4)C2)C3)cccc1-c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.41
RARB P10826 5/20 0.38
RARG P13631 5/20 0.38
RARA P10276 4/20 0.38
PTPN11 Q06124 1/20 0.38
CNR2 P34972 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38
GLRA1 P23415 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.37
FAAH O00519 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL8458022 0.80 PTPN11 (0.44) RARBRARGRARAPTPN11CNR2
SCHEMBL10686211 0.71 KDM4E (0.50) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL8458370 0.71 RARB (0.51) RARBRARGRARAPTPN11CNR2
SCHEMBL8458427 0.71 RARB (0.51) RARBRARGRARAPTPN11CNR2
SCHEMBL8457301 0.71 RARB (0.51) RARBRARGRARAPTPN11CNR2
SCHEMBL8458236 0.71 RARB (0.51) RARBRARGRARAPTPN11CNR2
SCHEMBL8459002 0.69 RARB (0.48) RARBRARGRARAPTPN11CNR2
SCHEMBL8459703 0.69 RARB (0.52) RARBRARGRARAPTPN11CNR2
SCHEMBL8458019 0.69 PTPN11 (0.58) RARBRARGRARAPTPN11CNR2
SCHEMBL8458437 0.67 RARB (0.42) RARBRARGRARAPTPN11CNR2

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 claimed