SCHEMBL9628372

SCHEMBL9628372

CC(=O)Oc1c(OC(C)(C)C)cc(O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HTT P42858 3/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 2/20 0.61
TP53 P04637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NSD2 O96028 1/20 0.41
MCL1 Q07820 1/20 0.41
EP300 Q09472 1/20 0.40
ABCB11 O95342 1/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.38
BACE1 P56817 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
TOP1 P11387 2/20 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
SCHEMBL9627397 0.87 HTT (0.63) MAPTHTTGAAKDM4ETP53
SCHEMBL9627737 0.84 HTT (0.52) MAPTHTTGAAKDM4ETP53
SCHEMBL9628320 0.83 MAPT (0.67) MAPTHTTGAAKDM4ETP53
SCHEMBL9629408 0.81 EP300 (0.51) MAPTHTTGAAKDM4ETP53
SCHEMBL9629361 0.79 MAPT (0.61) MAPTHTTGAAKDM4ETP53
SCHEMBL9627858 0.79 MAPT (0.61) MAPTHTTGAAKDM4ETP53
SCHEMBL9627451 0.78 HTT (0.56) MAPTHTTGAAKDM4ETP53
SCHEMBL9627666 0.78 GAA (0.56) MAPTHTTGAAKDM4ETP53
SCHEMBL9658461 0.77 HTT (0.52) MAPTHTTGAAKDM4ETP53
SCHEMBL29700338 0.77 HTT (0.52) MAPTHTTGAAKDM4ETP53

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