SCHEMBL6929436

SCHEMBL6929436

C=C(C)C(=O)OC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)OC(=O)C(=C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 4/20 0.49
CA2 P00918 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.37
CDC25B P30305 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 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
SCHEMBL194749 0.95 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL3268991 0.85 TSHR (0.51) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL9615555 0.84 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL28634846 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL14110108 0.82 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL25424391 0.82 TSHR (0.54) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL3915386 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL8608286 0.82 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL29086712 0.82 TSHR (0.44) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL25307118 0.81 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4CA2PRSS1

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
US-6610802-B2 Polymerizing unsatd. monomers with a transition metal catalyst and a coordination compound-forming ligand; filtration using a filter aid having carboxylic acid-, sulfonic acid- or phosphonic acid-containing units ROHMAX ADDITIVES GMBH (DE) 2003-08-26 US disclosed
US-20030060587-A1 Process for synthesis of polymer compositions, polymer compositions obtainable by the process, and use of the same ROHMAX ADDITIVES GMBH (DE) 2003-03-27 US disclosed