SCHEMBL8769342

SCHEMBL8769342

CC(=O)OC[C@H]1O[C@@H](n2c3c(OCc4ccccc4)cccc3c3c4c(c5c6cccc(OCc7ccccc7)c6[nH]c5c32)C(=O)N(COCc2ccccc2)C4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
PRKCA P17252 10/20 0.38
AKT1 P31749 1/20 0.38
PTK2 Q05397 1/20 0.38
TOP1 P11387 10/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 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
SCHEMBL8769931 1.00 GALR3 (0.40) GALR3PRKCAAKT1PTK2TOP1
SCHEMBL9083954 0.99 GALR3 (0.39) GALR3PRKCAAKT1PTK2TOP1
SCHEMBL5828686 0.84 GALR3 (0.40) GALR3PRKCAAKT1PTK2TSHR
SCHEMBL5828079 0.83 GALR3 (0.40) GALR3PRKCAAKT1PTK2TSHR
SCHEMBL5828937 0.83 GALR3 (0.40) GALR3PRKCAAKT1PTK2TSHR
SCHEMBL8829331 0.81 TOP1 (0.54) PRKCATOP1EGFR
SCHEMBL8829470 0.81 TOP1 (0.56) PRKCATOP1EGFR
SCHEMBL8769363 0.78 TOP1 (0.55) PRKCATOP1EGFR
SCHEMBL8314297 0.74 NQO1 (0.47) PRKCAALDH1A1
SCHEMBL5828557 0.74 PRKCA (0.44) GALR3PRKCAAKT1PTK2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528030-B1 ANTITUMOR BE-13793C DERIVATIVE BANYU PHARMA CO LTD (JP) 1997-09-17 EP disclosed
US-5536827-A ANTITUMOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 US disclosed
US-5478813-A Antitumor substance BE-13793C derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
EP-0528030-A1 ANTITUMOR BE-13793C DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 EP disclosed