SCHEMBL9656394

SCHEMBL9656394

CCCOC(=O)Oc1cc(Oc2ccccc2)c(OC(=O)OCCC)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
KLK7 P49862 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX5 P09917 1/20 0.37
TSHR P16473 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL9656369 0.93 L3MBTL1 (0.45) LMNAMAPTKLK7KDM4EALDH1A1
SCHEMBL9657610 0.91 LMNA (0.42) LMNAMAPTKLK7KDM4EALDH1A1
SCHEMBL9657067 0.86 CNR1 (0.43) LMNAMAPTKDM4EHTTALDH1A1
SCHEMBL9654974 0.86 KDM4E (0.41) LMNAKDM4EHTTALDH1A1ALOX5
SCHEMBL9657686 0.85 HTT (0.40) LMNAMAPTKDM4EHTTALDH1A1
SCHEMBL9654896 0.84 LMNA (0.45) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL9656725 0.84 KMT2A (0.47) HTTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL9657784 0.83 KMT2A (0.42) LMNAMAPTKDM4EHTTALDH1A1
SCHEMBL9654930 0.82 L3MBTL1 (0.36) LMNAMAPTKLK7KDM4EHTT
SCHEMBL23271855 0.82 HTT (0.58) LMNAMAPTKLK7KDM4EHTT

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