SCHEMBL8398162

SCHEMBL8398162

CCOC(OC)Oc1cc(C#CNC(=O)c2ccccc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.36
PPARA Q07869 5/20 0.36
PPARD Q03181 4/20 0.36
FAAH O00519 5/20 0.36
CNR2 P34972 5/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PGR P06401 2/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
RARA P10276 1/20 0.34
HSPD1 P10809 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
GOT1 P17174 1/20 0.34
GLRA1 P23415 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8570276 0.93 PPARG (0.38) PPARGPPARAPPARDFAAHCNR2
SCHEMBL8431850 0.84 PPARG (0.41) PPARGPPARAPPARDCNR2PKM
SCHEMBL8433276 0.84 RARA (0.44) MEN1KMT2APGRNR1I2LMNA
SCHEMBL8398167 0.83 IKBKB (0.38) PPARGPPARAPPARDFAAHCNR2
SCHEMBL8394296 0.82 CNR2 (0.35) FAAHCNR2P2RX7MEN1KMT2A
SCHEMBL8432026 0.81 HIF1A (0.37) PPARGPPARAPPARDCNR2PGR
SCHEMBL8434104 0.80 S1PR1 (0.33) MEN1KMT2APGRNR1I2LMNA
SCHEMBL8397837 0.80
SCHEMBL8521547 0.80 RARA (0.31) PPARGMEN1KMT2APGRNR1I2
SCHEMBL8397882 0.79 RARG (0.48) CNR2MEN1KMT2APGRNR1I2

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-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed