SCHEMBL9620463

SCHEMBL9620463

CC(C)OC(=O)C(Cl)CCCCCCCCCCCCC(Cl)C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.37
FAAH O00519 5/20 0.36
TRPV1 Q8NER1 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
ABCB1 P08183 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A2 O94788 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH1A3 P47895 1/20 0.31
BIRC2 Q13490 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
TBXAS1 P24557 1/20 0.30

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
SCHEMBL7973333 0.90 TSHR (0.33) LMNATSHRFAAHHCAR2
SCHEMBL8784853 0.89 TSHR (0.42) LMNATSHRHCAR2SMN1; SMN2
SCHEMBL28232550 0.88 LMNA (0.46) LMNATSHRFAAHZDHHC7BIRC2
SCHEMBL7973414 0.88 TSHR (0.34) LMNATSHRFAAHHCAR2
SCHEMBL21811446 0.83 LMNA (0.39) LMNATSHRFAAHHCAR2BIRC2
SCHEMBL7066356 0.83 TSHR (0.37) LMNATSHRHCAR2SMN1; SMN2
SCHEMBL28124632 0.81 TSHR (0.36) LMNATSHRSMN1; SMN2
SCHEMBL8924479 0.77 TSHR (0.40) LMNATSHRHCAR2ALDH1A1
SCHEMBL21811500 0.77 TSHR (0.40) LMNATSHRHCAR2ALDH1A1
SCHEMBL2862449 0.75 ZDHHC7 (0.45) LMNATSHRZDHHC7ABCB1ALDH1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279978-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS Epis S.A. (CH) 1992-01-02 EP disclosed
US-4908385-A Pharmaceuticals EPIS S.A. (CH) 1990-03-13 US disclosed
EP-0279978-A1 Pharmaceutical compositions containing alpha-halogenated dicarboxylic acids Epis S.A. (CH) 1988-08-31 EP disclosed
WO-1988002746-A1 MEDICAMENTS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS EPIS S.A. (CH) 1988-04-21 WO disclosed