SCHEMBL8155643

SCHEMBL8155643

COCCOCOc1cc(C=CC(=O)O)c(Cl)c(OC)c1OCOCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR1A P08908 1/20 0.39
HPGD P15428 1/20 0.39
HTR2C P28335 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IKBKB O14920 2/20 0.37
RARA P10276 1/20 0.37
TNFRSF1A P19438 1/20 0.37
RARG P13631 3/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL7966397 0.91 IKBKB (0.38) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL7962499 0.83 ALDH1A1 (0.35) KDM4EALDH1A1HPGDIKBKBTNFRSF1A
SCHEMBL7952003 0.82 ALDH1A1 (0.40) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL7951999 0.82 ALDH1A1 (0.40) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL7964175 0.81 RARA (0.38) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL7964173 0.81 RARA (0.38) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL7960068 0.81 RARG (0.31) RARG
SCHEMBL28562986 0.77 KDM4E (0.59) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL28562989 0.77 KDM4E (0.59) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL8125894 0.76 STING1 (0.39) IKBKBRARATNFRSF1ARARGF2

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-0551034-B1 Antibiotic cephalosporins having in position 7 a substituted benzyloxyimino radical HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
EP-1016646-A1 Intermediates for the preparation of cephalosporines containing on the 7-position a substituted benzyloximino radical HOECHST MARION ROUSSEL (FR) 2000-07-05 EP disclosed
EP-0551034-A2 Cephalosporins having in position 7 a benzyloxyimino radical substitute, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1993-07-14 EP disclosed