SCHEMBL9515089

SCHEMBL9515089

Cc1cccc(OOC(C)(C)C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPM4 Q8TD43 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 1/20 0.39
PLAU P00749 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 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
SCHEMBL9850282 0.84 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL2477856 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3924018 0.77 ELANE (0.55) CA12CA1CA2CA7CA9
SCHEMBL426616 0.77 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL7152724 0.77 ELANE (0.51) CA12CA1CA2CA7CA9
SCHEMBL1508738 0.77 PTGER1 (0.43) TDP1L3MBTL1ALDH1A1HSD17B10TSHR
SCHEMBL6916435 0.75 TDP1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL18375549 0.75 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL9700024 0.74 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9070640 0.74 CA12 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346863-B1 Mixture suited for the cross-linking of polymers, and process for the cross-linking of polymers with extended scorch time ATOCHEM ELF DEUTSCHLAND (DE) 1993-12-29 EP disclosed
EP-0180789-B1 CROSS-LINKING OF STYRENE POLYMERS Luperox GmbH (DE) 1990-02-28 EP disclosed
EP-0346863-A1 Mixture suited for the cross-linking of polymers, and process for the cross-linking of polymers with extended scorch time Elf Atochem Deutschland GmbH (DE) 1989-12-20 EP disclosed
US-4683248-A PEROXIDES AND UNSATURATED COMPOUNDS LUPEROX GMBH (DE) 1987-07-28 US disclosed
EP-0180789-A1 Cross-linking of styrene polymers Luperox GmbH (DE) 1986-05-14 EP disclosed