SCHEMBL8458022

SCHEMBL8458022

CCCCCCCOc1cccc(-c2ccc3ccc(C45CC6CC(CC(C6)C4)C5)cc3c2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.44
CNR2 P34972 7/20 0.43
CNR1 P21554 2/20 0.42
FAAH O00519 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
RARA P10276 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27979397 0.81 RARB (0.55) PTPN11PPARGPPARDPPARARARB
SCHEMBL8458020 0.80 CA9 (0.41) PTPN11CNR2CNR1FAAHPPARG
SCHEMBL8459709 0.79 RARB (0.41) PTPN11CNR2CNR1FAAHPPARG
SCHEMBL8458437 0.78 RARB (0.42) PTPN11CNR2CNR1FAAHPPARG
SCHEMBL8458019 0.77 PTPN11 (0.58) PTPN11CNR2CNR1FAAHRARB
SCHEMBL8458380 0.76 RARB (0.40) PTPN11CNR2CNR1FAAHPPARG
SCHEMBL8457312 0.76 RARB (0.39) PTPN11CNR2CNR1FAAHPPARG
SCHEMBL7330160 0.73 PTPN11 (0.56) PTPN11PPARAMEN1NR1I2LMNA
SCHEMBL9677245 0.73 PTPN11 (0.56) PTPN11PPARAMEN1NR1I2LMNA
SCHEMBL9330868 0.73 PTPN11 (0.56) PTPN11PPARAMEN1NR1I2LMNA

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