SCHEMBL27948433

SCHEMBL27948433

C=CC(=O)OCC(C)(CCC)CCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 3/20 0.41
NFKB1 P19838 1/20 0.36
ADRA1A P35348 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19240599 0.98 TSHR (0.50) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL19069168 0.95 TSHR (0.53) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL24690505 0.95 TSHR (0.53) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL21166449 0.95 TSHR (0.53) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL18737331 0.95 TSHR (0.53) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL18737324 0.95 TSHR (0.53) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL18469789 0.94 TSHR (0.51) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL20927039 0.94 TSHR (0.51) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL21391883 0.89 TSHR (0.50) TSHRHPGDLMNAHSD17B10ALDH1A1
SCHEMBL18857424 0.89 TSHR (0.50) TSHRHPGDLMNAHSD17B10ALDH1A1

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
CN-103459569-A Lubricant composition having improved non-Newtonian viscometrics BASF SE 2013-12-18 CN disclosed