SCHEMBL11749700

SCHEMBL11749700

CC(C)CC(C)COC(=O)/C=C\C(=O)OCC(C)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ HCAR2 Q8TDS4 6/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ LAP3 P28838 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33

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
SCHEMBL15355365 1.00 TSHR (0.47) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL11748242 1.00 TSHR (0.47) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL11748250 0.92 HCAR2 (0.52) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL11746726 0.83 TSHR (0.70) TSHRALDH1A1HPGD
SCHEMBL429885 0.81 TSHR (0.67) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL317107 0.81 TSHR (0.67) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL317108 0.81 TSHR (0.67) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL9576235 0.81 TSHR (0.45) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL11747186 0.80 MAPT (0.46) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL28367450 0.80 MAPT (0.46) TSHRHCAR2ATMALDH1A1HPGD

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-4048130-A COPOLYMERIZATION, UNSATURATED ACIDS LONZA LTD. (CH) 1977-09-13 — — US disclosed
Send feedback