SCHEMBL9627650

SCHEMBL9627650

CCCC(=O)Oc1cc(OCC)c(OC(=O)CCC)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.42
AKR1C3 P42330 1/20 0.41
SLC2A1 P11166 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TOP2A P11388 2/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CNR2 P34972 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9627415 0.92 TOP2A (0.49) ALOX15HTTSLC2A1KDM4EMEN1
SCHEMBL10708295 0.90 CNR1 (0.44) ALOX15HTTAKR1C3SLC2A1KDM4E
SCHEMBL9628333 0.90 HTT (0.43) ALOX15HTTSLC2A1KDM4EKMT2A
SCHEMBL10709899 0.89 CNR1 (0.45) ALOX15HTTAKR1C3SLC2A1KDM4E
SCHEMBL9627867 0.87 MAPT (0.44) ALOX15HTTAKR1C3SLC2A1KDM4E
SCHEMBL9627564 0.87 ALOX15 (0.43) ALOX15HTTAKR1C3KDM4EMEN1
SCHEMBL9628672 0.86 CASP3 (0.46) ALOX15AKR1C3SLC2A1KDM4EMEN1
SCHEMBL9627605 0.85 SLC2A1 (0.44) HTTSLC2A1KDM4ETSHRGLA
SCHEMBL9713564 0.85 KDM4E (0.50) ALOX15HTTAKR1C3SLC2A1KDM4E
SCHEMBL9627455 0.84 SLC2A1 (0.47) ALOX15HTTAKR1C3SLC2A1KMT2A

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 5 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
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP 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