SCHEMBL9628302

SCHEMBL9628302

COc1c(OC(C)=O)cc2ccccc2c1OC.c1cc2ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ERN1 O75460 1/20 0.44
▸ BACE1 P56817 3/20 0.44
▸ PTGES O14684 3/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ NQO1 P15559 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL10895815 0.85 HTT (0.49) HTTKDM4EALDH1A1MAPTPOLB
SCHEMBL8582319 0.83 KDM4E (0.59) HTTKDM4EALDH1A1MAPTPOLB
SCHEMBL27489224 0.78 NCEH1 (0.49) HTTALDH1A1MAPTGAAKMT2A
SCHEMBL2889415 0.77 MAOA (0.58) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL6227217 0.77 HTT (0.54) HTTKDM4EALDH1A1MAPTPOLB
SCHEMBL24955836 0.76 HTT (0.60) HTTKDM4EALDH1A1MAPTPOLB
SCHEMBL4752091 0.76 KDM4E (0.54) HTTKDM4EALDH1A1MAPTPOLB
SCHEMBL27423013 0.76 MAOA (0.56) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL7995114 0.74 TNFSF11 (0.61) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL27626385 0.74 CA12 (0.50) KDM4EALDH1A1MAPTRECQLHPGD

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-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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