SCHEMBL7192136

SCHEMBL7192136

C=CC(=O)OC(CC)CCl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 4/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRA P10827 1/20 0.30
CTSK P43235 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
SCHEMBL1293040 0.87 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL561301 0.87 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11340311 0.82 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3164711 0.82 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28745668 0.80 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL483315 0.80 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11143548 0.80 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1132293 0.80 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2143892 0.79 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494129 0.78 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6657014-B1 Nitrile group-containing highly saturated copolymer rubber containing comonomers of unsaturated dicarboxylic acid monoalkyl esters; polyhydrazide crosslinking agent and basic accelerator; heat and flex fatigue resistance ZEON CORPORATION (JP) 2003-12-02 US disclosed
US-6197479-B1 IMAGE REPRODUCIBILITY AND FOR FLEXOGRAPHIC PRINTING PLATES TORAY INDUSTRIES, INC. (JP) 2001-03-06 US disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed