SCHEMBL11314101

SCHEMBL11314101

CCOC(=O)C1C(C(=O)C(Cl)Cl)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 6/20 0.35
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4157000 0.84 LMNA (0.60) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL4157002 0.84 LMNA (0.60) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL11312999 0.82 LMNA (0.47) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL1261673 0.77 LMNA (0.53) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL30485854 0.77 LMNA (0.58) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL9861951 0.77 LMNA (0.58) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL11007743 0.76 LMNA (0.49) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL11325462 0.76 TDP1 (0.47) LMNAALDH1A1TSHR
SCHEMBL11010842 0.74 LMNA (0.46) LMNAALDH1A1ALOX15TP53CYP1A2
SCHEMBL11010327 0.73 LMNA (0.49) LMNAALDH1A1ALOX15TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289711-A Ester synthesis BURROUGHS WELLCOME CO. (US) 1981-09-15 US disclosed