SCHEMBL8107918

SCHEMBL8107918

COC(=O)CCCC(CCC(=O)OC)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
SLC1A1 P43005 1/20 0.47
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
FOLH1 Q04609 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11615218 0.94 TSHR (0.56) TSHRCA1CA2SLC1A1LMNA
SCHEMBL16388417 0.92 TSHR (0.55) TSHRCA1CA2SLC1A1LMNA
SCHEMBL9506213 0.89 CA1 (0.56) TSHRCA1CA2SLC1A1LMNA
SCHEMBL9508659 0.89 CA2 (0.67) TSHRCA1CA2SLC1A1LMNA
SCHEMBL7858108 0.86 CA2 (0.69) TSHRCA1CA2SLC1A1LMNA
SCHEMBL487286 0.85 CA2 (0.58) TSHRCA1CA2LMNAALDH1A1
SCHEMBL579709 0.84 CA1 (0.50) TSHRCA1CA2SLC1A1LMNA
SCHEMBL18264428 0.84 TSHR (0.52) TSHRCA1CA2SLC1A1FOLH1
SCHEMBL20464696 0.84 SLC1A1 (0.47) TSHRCA1CA2SLC1A1LMNA
SCHEMBL8043403 0.83 TSHR (0.48) TSHRCA1CA2SLC1A1LMNA

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-6085839-A Method of thermally insulating a wellbore SHELL OIL COMPANY (US) 2000-07-11 US disclosed