SCHEMBL9628263

SCHEMBL9628263

CCOc1cc(OC(=O)CC)c2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PLCG1 P19174 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC2A1 P11166 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ACHE P22303 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 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
SCHEMBL9628672 0.90 CASP3 (0.46) CASP3CASP7CASP9KMT2AMEN1
SCHEMBL9628123 0.87 HTT (0.51) CASP3CASP7CASP9KMT2AMEN1
SCHEMBL9627534 0.87 L3MBTL1 (0.43) CASP3CASP7CASP9KMT2AMEN1
SCHEMBL9627455 0.85 SLC2A1 (0.47) CASP3CASP7CASP9KMT2AGLA
SCHEMBL9628333 0.85 HTT (0.43) CASP3CASP7CASP9KMT2AGLA
SCHEMBL9628078 0.85 TOP2A (0.49) CASP3CASP7CASP9KMT2AMEN1
SCHEMBL9629388 0.84 CASP3 (0.49) CASP3CASP7CASP9KMT2AMEN1
SCHEMBL9628416 0.83 KMT2A (0.39) KMT2AMEN1POLBPLCG1GLA
SCHEMBL9627450 0.81 KMT2A (0.43) CASP3CASP7CASP9KMT2AMEN1
SCHEMBL9627605 0.81 SLC2A1 (0.44) CASP3CASP7CASP9GLAL3MBTL1

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-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene 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