SCHEMBL9629403

SCHEMBL9629403

CCOc1cc(OC(=O)C(C)(C)C)c2ccccc2c1OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.45
ELANE P08246 6/20 0.44
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.41
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.38
ADRB2 P07550 1/20 0.38
MAPT P10636 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
SCHEMBL9627373 0.94 ELANE (0.44) SLC2A1ELANETSHRHTTGLA
SCHEMBL9629350 0.90 SLC2A1 (0.42) SLC2A1ELANETSHRHTTGLA
SCHEMBL9628205 0.88 SLC2A1 (0.46) SLC2A1TSHRHTTGLAL3MBTL1
SCHEMBL9627470 0.84 HTT (0.59) SLC2A1TSHRHTTGLAL3MBTL1
SCHEMBL10704565 0.84 CNR1 (0.42) ELANEHTTALDH1A1LMNACYP3A4
SCHEMBL9659886 0.84 SLC2A1 (0.44) SLC2A1ELANETSHRHTTGLA
SCHEMBL9627455 0.83 SLC2A1 (0.47) SLC2A1TSHRHTTGLAL3MBTL1
SCHEMBL10705375 0.83 CNR1 (0.43) SLC2A1ELANEHTTL3MBTL1LMNA
SCHEMBL9660009 0.83 SLC2A1 (0.46) SLC2A1TSHRHTTGLAALDH1A1
SCHEMBL9660454 0.82 SLC2A1 (0.49) SLC2A1TSHRHTTGLAL3MBTL1

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-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US claimed
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 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