SCHEMBL5085952

SCHEMBL5085952

C=CCC(C(=O)OCC)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.34
METAP2 P50579 7/20 0.34
METAP1 P53582 5/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL23687256 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1TSHRMETAP2METAP1
SCHEMBL11134509 0.88 ALDH1A1 (0.37) ALDH1A1NPSR1TSHRLMNAHSD17B10
SCHEMBL9743601 0.85 ALDH1A1 (0.35) ALDH1A1NPSR1TSHRMETAP2METAP1
SCHEMBL1877812 0.83 ALDH1A1 (0.34) ALDH1A1NPSR1TSHRMETAP2METAP1
SCHEMBL8024204 0.82 MEN1 (0.39) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8023984 0.78 TSHR (0.34) TSHR
SCHEMBL2878558 0.78 ALDH1A1 (0.39) ALDH1A1NPSR1TSHRLMNAHSD17B10
SCHEMBL31693092 0.78 ALDH1A1 (0.39) ALDH1A1NPSR1TSHRLMNAHSD17B10
SCHEMBL18465494 0.78 ALDH1A1 (0.39) ALDH1A1NPSR1TSHRLMNAHSD17B10
SCHEMBL356446 0.78 ALDH1A1 (0.39) ALDH1A1NPSR1TSHRLMNAHSD17B10

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
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed