SCHEMBL10557451

SCHEMBL10557451

C=CCC(C)(CC)OC(=O)/C=C/C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.43
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.30
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 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
SCHEMBL11747396 0.86 HCAR2 (0.52) HCAR2L3MBTL1TSHRTP53EGLN1
SCHEMBL11747412 0.86 HCAR2 (0.52) HCAR2L3MBTL1TSHRTP53EGLN1
SCHEMBL11749627 0.86 HCAR2 (0.52) HCAR2L3MBTL1TSHRTP53EGLN1
SCHEMBL8662442 0.83 HCAR2 (0.41) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28392327 0.82 THRB (0.39) TSHRTP53
SCHEMBL9860304 0.81 HCAR2 (0.42) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9861015 0.81 HCAR2 (0.42) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9860300 0.81 HCAR2 (0.42) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9727769 0.78 HCAR2 (0.40) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL11749631 0.78 HCAR2 (0.38) HCAR2

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-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US disclosed