SCHEMBL9627397

SCHEMBL9627397

CC(=O)Oc1cc(OC(C)(C)C)c(OC(C)=O)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.63
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 3/20 0.45
SLC22A6 Q4U2R8 1/20 0.42
TOP1 P11387 3/20 0.41
ABCB11 O95342 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39

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
SCHEMBL9627737 0.91 HTT (0.52) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9627451 0.91 HTT (0.56) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL7918996 0.87 HTT (0.75) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9628372 0.87 MAPT (0.61) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9628422 0.86 HTT (0.53) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9627465 0.83 HTT (0.69) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9657650 0.82 HTT (0.42) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9656682 0.81 ALDH1A1 (0.49) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9627519 0.81 HTT (0.58) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL9627634 0.79 HTT (0.63) HTTKDM4EMAPTHSD17B10GAA

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