SCHEMBL11040729

SCHEMBL11040729

[CH2]OC(=O)/C(=C/c1ccc(O)c(O)c1)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.56
TTR P02766 1/20 0.50
APP P05067 1/20 0.50
PTPN1 P18031 2/20 0.48
TUBB1 Q9H4B7 1/20 0.47
DNM1 Q05193 3/20 0.43
EGFR P00533 3/20 0.43
ABL1 P00519 1/20 0.43
ABL2 P42684 1/20 0.43
IAPP P10997 1/20 0.42
PTGS1 P23219 1/20 0.42
SRC P12931 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42
NQO2 P16083 1/20 0.41
RELA Q04206 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL11040732 1.00 ABCG2 (0.56) ABCG2TTRAPPPTPN1TUBB1
SCHEMBL11138976 0.82 ABCG2 (0.59) ABCG2TTRAPPPTPN1TUBB1
SCHEMBL11138973 0.82 ABCG2 (0.59) ABCG2TTRAPPPTPN1TUBB1
SCHEMBL11042787 0.82 ABCG2 (0.56) ABCG2KDM4ECA12CA1CA2
SCHEMBL11042783 0.82 ABCG2 (0.56) ABCG2KDM4ECA12CA1CA2
SCHEMBL5375473 0.73 APP (0.54) ABCG2TTRAPPTUBB1RAB9A
SCHEMBL5395111 0.73 APP (0.54) ABCG2TTRAPPTUBB1RAB9A
SCHEMBL11038949 0.72 ABCG2 (0.39) ABCG2EGFRKDM4EALDH1A1
SCHEMBL11038951 0.72 ABCG2 (0.39) ABCG2EGFRKDM4EALDH1A1
SCHEMBL9347097 0.71 DNM1 (0.72) DNM1EGFRKDM4EMAPTMEN1

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
EP-0028511-B1 CEPHALOSPORINS, PROCESSES FOR THEIR PREPARATION AND MICROORGANISMS CAPABLE OF THEIR PRODUCTION GLAXO GROUP LIMITED (GB) 1984-04-11 EP disclosed
US-4379920-A CEPHAMYCIN DERIVATIVE GLAXO GROUP LIMITED (GB) 1983-04-12 US disclosed
EP-0028511-A1 Cephalosporins, processes for their preparation and microorganisms capable of their production GLAXO GROUP LIMITED (GB) 1981-05-13 EP disclosed