SCHEMBL8844864

SCHEMBL8844864

CC(O)[C@H](N)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
LMNA P02545 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.43
TARS1 P26639 1/20 0.40
DPP4 P27487 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KLK7 P49862 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL8845063 1.00 KIF11 (0.49) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL8845166 1.00 KIF11 (0.49) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL8844867 1.00 KIF11 (0.49) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL8845163 1.00 KIF11 (0.49) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL8844987 1.00 KIF11 (0.49) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL9634408 0.89 KIF11 (0.49) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL9634405 0.89 KIF11 (0.49) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL8766747 0.85 KIF11 (0.51) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL27395460 0.83 KIF11 (0.48) KIF11LMNAADRA2AADRA2CHIF1A
SCHEMBL10200437 0.83 ESR1 (0.49) KIF11LMNAADRA2AADRA2CHIF1A

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
US-5693772-A PROTECTING ACID AND HYDROXY GROUPS OF BENANOMICIN A, REDUCTION OF AMIDE TO IMIDOESTER WITH MEERWEIN REAGENT, DEPROTECTING, REFLUXING IN ACETONE/WATER MIXTURE TO CLEAVE IMIDOESTER AND FORM CARBOXY GROUP ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-12-02 US claimed
US-5693772-A PROTECTING ACID AND HYDROXY GROUPS OF BENANOMICIN A, REDUCTION OF AMIDE TO IMIDOESTER WITH MEERWEIN REAGENT, DEPROTECTING, REFLUXING IN ACETONE/WATER MIXTURE TO CLEAVE IMIDOESTER AND FORM CARBOXY GROUP ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-12-02 US disclosed
EP-0684253-A1 DESALANINEBENANOMICIN A DERIVATIVE AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1995-11-29 EP disclosed