SCHEMBL9656386

SCHEMBL9656386

CCCOc1cc(OC(=O)Oc2ccccc2)c2ccccc2c1OC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
HTT P42858 3/20 0.39
PDE10A Q9Y233 1/20 0.38
PKM P14618 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
CASP6 P55212 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 6/20 0.36

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
SCHEMBL9657911 0.96 KMT2A (0.43) KMT2ACNR1CNR2HTTPDE10A
SCHEMBL9659104 0.95 KMT2A (0.42) KMT2ACNR1CNR2HTTPDE10A
SCHEMBL9656999 0.90 TSHR (0.41) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL9657067 0.87 CNR1 (0.43) CNR1CNR2HTTPKMALDH1A1
SCHEMBL9660468 0.85 TSHR (0.42) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL9660550 0.84 SLC2A1 (0.44) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL9656721 0.84 KMT2A (0.44) KMT2ACNR1CNR2HTTPDE10A
SCHEMBL9656624 0.84 ELANE (0.46) KMT2ACNR1CNR2HTTALDH1A1
SCHEMBL9659324 0.83 CNR1 (0.44) KMT2ACNR1CNR2HTTPKM
SCHEMBL9659432 0.83 CNR1 (0.44) KMT2ACNR1CNR2HTTALDH1A1

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-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed