SCHEMBL9627630

SCHEMBL9627630

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 11/20 0.47
▸ HTT P42858 1/20 0.44
▸ PARP1 P09874 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ 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
▸ EP300 Q09472 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL9628421 0.95 ELANE (0.45) ELANEHTTPARP1PARP2PLK1
SCHEMBL9627462 0.94 ELANE (0.47) ELANEHTTCHEK1PLK1SMN1; SMN2
SCHEMBL9627373 0.84 ELANE (0.44) ELANEHTTLMNASMN1; SMN2TSHR
SCHEMBL10705899 0.84 ELANE (0.44) ELANEHTTLMNAMAPTNPSR1
SCHEMBL10704405 0.84 ELANE (0.45) ELANEHTTLMNAESR1ALDH1A1
SCHEMBL9713373 0.83 ABCB11 (0.49) ELANELMNAMAPTSMN1; SMN2
SCHEMBL16005349 0.82 ELANE (0.54) ELANEHTTPLK1LMNAMAPT
SCHEMBL10704565 0.82 CNR1 (0.42) ELANEHTTLMNAMAPTALDH1A1
SCHEMBL10705375 0.81 CNR1 (0.43) ELANEHTTLMNAMAPT
SCHEMBL10710043 0.81 ELANE (0.41) ELANEHTTLMNAALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 — — EP disclosed
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 — — US disclosed
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 — — 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
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 — — EP disclosed
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