SCHEMBL7159761

SCHEMBL7159761

Oc1ccccc1C=C1CC=CC=C1S

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.42
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
CA12 O43570 6/20 0.37
CA2 P00918 6/20 0.37
KDM4E B2RXH2 1/20 0.37
NAT1 P18440 2/20 0.36
CA9 Q16790 5/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TRPA1 O75762 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL10616053 0.83 MIF (0.42) MIFTRIM24TRIM33CA12CA2
SCHEMBL14760982 0.78 MIF (0.41) MIFTRIM24TRIM33CA12CA2
SCHEMBL11350548 0.72 MIF (0.36) MIFTRIM24TRIM33CA12CA2
SCHEMBL11347030 0.71 MIF (0.36) MIFTRIM24TRIM33CA2KDM4E
SCHEMBL1350646 0.69 MIF (0.41) MIFTRIM24TRIM33CA12CA2
Hydrochloric Acid SCHEMBL27485773 0.65 TRIM24 (0.35) TRIM24TRIM33CA12CA2KDM4E
SCHEMBL13476075 0.64 TRIM24 (0.50) MIFTRIM24TRIM33CA12CA2
SCHEMBL11385006 0.63 MIF (0.45) MIFTRIM24TRIM33CA12CA2
SCHEMBL3583600 0.63 MIF (0.53) MIFKDM4ELMNAMAPTNFE2L2
SCHEMBL3583598 0.63 MIF (0.53) MIFKDM4ELMNAMAPTNFE2L2

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-6565814-B1 Hermetic sealing SEKISUI CHEMICAL CO., LTD. (JP) 2003-05-20 US disclosed
EP-1064879-A1 PLUG BODY FOR VACUUM SPECIMEN SAMPLING CONTAINER, VACUUM SPECIMEN SAMPLING CONTAINER, VACUUM SPECIMEN SAMPLING SYSTEM, VACUUM SPECIMEN SAMPLING HOLDER, AND THERMOPLASTIC ELASTOMER COMPOSITION FOR PLUG BODY SEKISUI CHEMICAL CO., LTD. (JP) 2001-01-03 EP disclosed