SCHEMBL9629327

SCHEMBL9629327

COc1cc(OC(C)=O)c2c(Cl)cccc2c1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ABCB11 O95342 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
MCL1 Q07820 1/20 0.43
HIF1A Q16665 1/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43

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
SCHEMBL9627528 0.87 HTT (0.48) HTTABCB11KMT2AALDH1A1GAA
SCHEMBL9713640 0.85 ALDH1A1 (0.38) HTTABCB11KMT2AALDH1A1GAA
SCHEMBL9660612 0.84 HTT (0.52) HTTABCB11KMT2AALDH1A1GAA
SCHEMBL9713691 0.84 KMT2A (0.36) HTTABCB11KMT2AALDH1A1GAA
SCHEMBL9713618 0.81 CNR1 (0.40) HTTKMT2AMAPTMEN1KDM4E
SCHEMBL9713918 0.80 CNR1 (0.41) KMT2AMAPTMEN1CYP3A4
SCHEMBL9714019 0.80 HTT (0.42) HTTKMT2AALDH1A1GAAMAPT
SCHEMBL9627579 0.80 BACE1 (0.49) HTTKMT2AALDH1A1GAAMAPT
SCHEMBL9642267 0.80 ABCB11 (0.55) HTTABCB11KMT2AALDH1A1GAA
SCHEMBL9713619 0.80 HTT (0.37) HTTKMT2AALDH1A1GAAMAPT

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
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-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
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 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