SCHEMBL9629346

SCHEMBL9629346

COc1cc(OC(C)(C)C)c(O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.42
TP53 P04637 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 2/20 0.39
ALOX15 P16050 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL9627412 0.87 EP300 (0.48) EP300TP53CA1CA2TSHR
SCHEMBL9658461 0.81 HTT (0.52) EP300TP53IDO1MAPTLMNA
SCHEMBL29700338 0.81 HTT (0.52) EP300TP53IDO1MAPTLMNA
SCHEMBL9628422 0.80 HTT (0.53) TP53TSHRMAPTLMNAHPGD
SCHEMBL8762756 0.79 TP53 (0.50) EP300TP53CA1CA2TSHR
SCHEMBL11075329 0.78 EP300 (0.44) EP300TP53CA1CA2TSHR
SCHEMBL6227473 0.77 CALM1 (0.43) EP300TP53TSHRMAPTKDM4E
SCHEMBL9627483 0.77 TTR (0.47) EP300ALOX15MAPTALDH1A1MAPK1
SCHEMBL14398799 0.77 EP300 (0.41) EP300TP53CA1CA2TSHR
SCHEMBL5172040 0.77 EP300 (0.47) EP300TP53CA1CA2TSHR

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