SCHEMBL9656702

SCHEMBL9656702

CCCCCCOC(=O)Oc1cc(OC)c(OC(=O)OCCCCCC)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ELANE P08246 1/20 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
SCHEMBL9658516 0.95 KMT2A (0.44) ABCB11MEN1GAAKMT2AKDM4E
SCHEMBL9658201 0.91 ABCB11 (0.45) ABCB11MEN1GAAKMT2AKDM4E
SCHEMBL9654743 0.86 TSHR (0.45) ALDH1A1ELANE
SCHEMBL9658055 0.86 ABCB11 (0.58) ABCB11MEN1GAAKMT2AKDM4E
SCHEMBL9657088 0.83 ABCB11 (0.39) ABCB11MEN1GAAKMT2AKDM4E
SCHEMBL9659390 0.82 TSHR (0.46) ALDH1A1ELANE
SCHEMBL9713400 0.82 TOP2A (0.47) ABCB11MEN1GAAKMT2AEPHX2
SCHEMBL9657928 0.81 TSHR (0.45) GAAALDH1A1ELANE
SCHEMBL9654671 0.81 ABCB11 (0.60) ABCB11MEN1GAAKMT2AKDM4E
SCHEMBL9658382 0.81 ELANE (0.47) MEN1KMT2AKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed