SCHEMBL819903

SCHEMBL819903

O=C(O)C1=CCCCC=C1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.35
TSHR P16473 5/20 0.34
HDAC4 P56524 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
SLC6A1 P30531 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ACMSD Q8TDX5 2/20 0.33
BLM P54132 1/20 0.33
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
ALOX15 P16050 1/20 0.31
HCAR3 P49019 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
SCHEMBL1355431 0.88 TSHR (0.37) TSHRSLC6A1SLC6A13BLMTP53
SCHEMBL747380 0.78 HIF1A (0.38) TSHRHDAC4HDAC2HDAC8HDAC6
SCHEMBL21076548 0.72 TSHR (0.32) TSHRSLC6A1SLC6A13BLM
SCHEMBL10124485 0.70 MAPT (0.34) TSHRHDAC8SLC6A1SLC6A13BLM
SCHEMBL12532851 0.70 TSHR (0.31) TSHRSLC6A1SLC6A13BLMGABRR1
SCHEMBL4194302 0.70
SCHEMBL507862 0.70 TPMT (0.32) TSHRSLC6A1SLC6A13BLMSMN1; SMN2
SCHEMBL7236746 0.70
SCHEMBL819613 0.69 CHRM3 (0.42) TSHRHDAC4HDAC2HDAC8HDAC6
SCHEMBL502595 0.67

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-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed