SCHEMBL11123701

SCHEMBL11123701

C=C(C)COC(=O)C(=O)OCC(=C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 5/20 0.39
THRB P10828 1/20 0.38
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.32
GPR174 Q9BXC1 1/20 0.32
GLO1 Q04760 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
SCHEMBL29220313 0.89 TSHR (0.38) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL22830358 0.89 TSHR (0.38) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL587102 0.89 TSHR (0.54) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL4673731 0.89 TSHR (0.38) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL9202292 0.89 TSHR (0.38) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL17266588 0.87 TSHR (0.37) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL4894534 0.83 TSHR (0.34) TSHRALDH1A1THRBGLO1
SCHEMBL4894530 0.83 TSHR (0.34) TSHRALDH1A1THRBGLO1
SCHEMBL16864194 0.82 NPC1 (0.36) TSHRALDH1A1LMNA
SCHEMBL1034236 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040524-B1 AIR-CURING POLYMERS AND A PROCESS FOR PREPARING THEM MONSANTO COMPANY (US) 1984-04-25 EP disclosed
EP-0040524-A2 Air-curing polymers and a process for preparing them MONSANTO COMPANY (US) 1981-11-25 EP disclosed