SCHEMBL20546503

SCHEMBL20546503

O=C(O)/C=C/c1ccccc1-c1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.62
PTGER3 P43115 3/20 0.62
PTGER2 P43116 3/20 0.62
PTGER4 P35408 2/20 0.62
NFKB1 P19838 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
BACE1 P56817 3/20 0.52
MIF P14174 1/20 0.47
PELI1 Q96FA3 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
RXRA P19793 1/20 0.42
NR4A2 P43354 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL28355110 0.87 PTGER3 (0.66) PTGER1PTGER3PTGER2PTGER4NFKB1
SCHEMBL2433472 0.85 PTGER3 (0.66) PTGER1PTGER3PTGER2PTGER4NFKB1
SCHEMBL181054 0.85 PTGER3 (0.66) PTGER1PTGER3PTGER2PTGER4NFKB1
Hydrochloric Acid SCHEMBL11527565 0.83 PTGER3 (0.64) PTGER1PTGER3PTGER2PTGER4NFKB1
SCHEMBL5206465 0.83 PTGER1 (0.61) PTGER1PTGER3PTGER2PTGER4NFKB1
SCHEMBL1225003 0.83 PTGER3 (0.69) PTGER1PTGER3PTGER2PTGER4NFKB1
SCHEMBL7249342 0.83 PTGER1 (0.61) PTGER1PTGER3PTGER2PTGER4NFKB1
SCHEMBL1981788 0.82 BACE1 (0.64) PTGER1PTGER3PTGER2PTGER4NFKB1
Bromide SCHEMBL6988733 0.82 PTGER1 (0.59) PTGER1PTGER3PTGER2PTGER4NFKB1
Bromide SCHEMBL6988730 0.82 PTGER1 (0.59) PTGER1PTGER3PTGER2PTGER4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108795224-B Coating and method for using and producing the same 艾仕得涂料系统有限责任公司 2021-12-14 CN disclosed
US-10934438-B2 Coatings and methods for using and producing the same AXALTA COATING SYSTEMS IP CO., LLC (US) 2021-03-02 US disclosed
US-20180312701-A1 COATINGS AND METHODS FOR USING AND PRODUCING THE SAME AXALTA COATING SYSTEMS IP CO., LLC (US) 2018-11-01 US disclosed