SCHEMBL3933396

SCHEMBL3933396

CC1=CC2(CCC2)c2ccccc2O1.O=C(O)c1n[nH]c2c1COc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 1/20 0.33
KMT2A Q03164 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
SCHEMBL4008228 0.85 ALPL (0.43) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL3928928 0.83 ALPL (0.65) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2171482 0.81 KDM4E (0.59) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL3928703 0.76 ALPL (0.54) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL30290797 0.70 KDM4E (0.51) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2172075 0.70 KDM4E (0.42) ALPLKDM4EALDH1A1HSD17B10PGR
SCHEMBL2548371 0.70 ALDH1A1 (0.48) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2175776 0.69 NPC1 (0.48) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL4149139 0.68 ALPL (0.67) ALPLKDM4EALDH1A1HSD17B10NPC1
SCHEMBL3515978 0.66 PDGFRB (0.42) ALPLKDM4EALDH1A1HSD17B10NPC1

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
WO-2009010824-A1 DIHYDROCHROMENOPYRAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-01-22 WO disclosed