SCHEMBL9659409

SCHEMBL9659409

COC(=O)Oc1cc(Oc2ccccc2)c(OC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TTR P02766 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
IDO1 P14902 1/20 0.42
HTT P42858 2/20 0.41
RAB9A P51151 1/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BCL2A1 Q16548 2/20 0.39
NUDT1 P36639 1/20 0.39
ESRRA P11474 1/20 0.39
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9658026 0.89 TTR (0.47) KDM4EHSD17B10HPGDTTRCYP1A2
SCHEMBL9660313 0.87 KDM4E (0.47) KDM4EHSD17B10HPGDCYP1A2CYP2C9
SCHEMBL9659562 0.86 ALDH1A1 (0.47) KDM4EHSD17B10HPGDTTRCYP1A2
SCHEMBL9659406 0.86 PKM (0.48) TTRRAB9AMEN1KMT2AALDH1A1
SCHEMBL30227041 0.85 KDM4E (0.39) KDM4EHSD17B10HPGDTTRCYP1A2
SCHEMBL9659258 0.83 HTR1A (0.51) KDM4EHPGDCYP1A2CYP2C9IDO1
SCHEMBL19612272 0.82 ALDH1A1 (0.48) KDM4EHPGDTTRIDO1HTT
SCHEMBL9657784 0.81 KMT2A (0.42) KDM4EHPGDTTRHTTKMT2A
SCHEMBL9658296 0.81 HTT (0.40) KDM4ETTRCYP1A2CYP2C9HTT
SCHEMBL10643489 0.81 HTT (0.46) KDM4EHSD17B10HPGDCYP1A2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed