SCHEMBL9628152

SCHEMBL9628152

CCCOc1cc(OCC)c(OC(=O)CC)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC2A1 P11166 2/20 0.40
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 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
SCHEMBL9627605 0.93 SLC2A1 (0.44) SLC2A1CASP3CASP7CASP9TSHR
SCHEMBL9713960 0.92 CNR1 (0.44) CNR2CNR1MEN1KMT2ASLC2A1
SCHEMBL9659842 0.90 CNR1 (0.42) CNR2CNR1MEN1KMT2ASLC2A1
SCHEMBL9627450 0.90 KMT2A (0.43) CNR2CNR1MEN1KMT2ASLC2A1
SCHEMBL9628333 0.89 HTT (0.43) KMT2ASLC2A1CASP3CASP7CASP9
SCHEMBL9627680 0.85 HTT (0.54) CNR2CNR1KMT2ACASP3CASP7
SCHEMBL10707100 0.85 CNR1 (0.45) CNR2CNR1MEN1KMT2ASLC2A1
SCHEMBL10708295 0.84 CNR1 (0.44) CNR2CNR1MEN1KMT2ASLC2A1
SCHEMBL9627455 0.83 SLC2A1 (0.47) KMT2ASLC2A1CASP3CASP7CASP9
SCHEMBL9659086 0.83 SLC2A1 (0.41) CNR2CNR1MEN1KMT2ASLC2A1

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