SCHEMBL8570549

SCHEMBL8570549

CCOC(=O)c1csc(C#Cc2ccc(OC)cc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
P2RX7 Q99572 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
IDO1 P14902 1/20 0.38
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
EPHX2 P34913 2/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8571816 0.87 EPHX2 (0.40) P2RX7CNR2ALDH1A1LMNAEPHX2
SCHEMBL8695608 0.73 ALDH1A1 (0.47) P2RX7CNR2ALDH1A1EPHX2HIF1A
SCHEMBL8570979 0.73 EPHX2 (0.40) P2RX7CNR2ALDH1A1LMNAEPHX2
SCHEMBL8693041 0.70 ALDH1A1 (0.45) P2RX7NPC1RAB9ACNR2ALDH1A1
SCHEMBL8694978 0.69 EPHX2 (0.46) P2RX7NPC1MAPTRAB9ACNR2
SCHEMBL8692193 0.69 EPHX2 (0.41) P2RX7CNR2ALDH1A1LMNAEPHX2
SCHEMBL14786695 0.68 MAPT (0.58) MAPTLMNAMEN1KMT2AHTT
SCHEMBL9091409 0.67 RARA (0.43) PPARGMAPTCNR2GAAHPGD
SCHEMBL8691239 0.65 EPHX2 (0.39) P2RX7CNR2ALDH1A1LMNAEPHX2
SCHEMBL8691343 0.65 EPHX2 (0.46) P2RX7NPC1MAPTRAB9ACNR2

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-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed