SCHEMBL9628421

SCHEMBL9628421

COc1cc(OC)c2ccccc2c1OC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.45
▸ HTT P42858 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ ATM Q13315 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL9627630 0.95 ELANE (0.47) ELANEHTTPARP1PARP2PLK1
SCHEMBL9627462 0.89 ELANE (0.47) ELANEHTTPLK1SMN1; SMN2TSHR
SCHEMBL9627466 0.82 HTT (0.61) HTTALOX15TSHRKDM4EALDH1A1
SCHEMBL9657917 0.82 HTT (0.40) ELANEHTTALOX15ATMPLK1
SCHEMBL9642833 0.82 KDM4E (0.50) ELANESMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL9659959 0.81 HTT (0.44) HTTALOX15ATMPLK1SMN1; SMN2
SCHEMBL9659345 0.81 HSD17B10 (0.46) HTTALOX15ATMPLK1SMN1; SMN2
SCHEMBL9629350 0.81 SLC2A1 (0.42) ELANEHTTSMN1; SMN2TSHRKDM4E
SCHEMBL9660594 0.81 IMPDH2 (0.40) HTTALOX15ATMPLK1TSHR
SCHEMBL9641753 0.80 KDM4E (0.48) ELANESMN1; SMN2KDM4EALDH1A1MAPK1

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 6 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
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
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