SCHEMBL9645971

SCHEMBL9645971

CN(C)c1cnc2c(O)cccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
METAP2 P50579 2/20 0.48
TSHR P16473 2/20 0.48
MMP2 P08253 1/20 0.48
CHRM1 P11229 1/20 0.48
COMT P21964 1/20 0.48
ADRA1A P35348 1/20 0.48
METAP1 P53582 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
PAX8 Q06710 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.39
PSMD14 O00487 1/20 0.39
COPS5 Q92905 1/20 0.39

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
SCHEMBL29800928 0.79 KDM4E (0.65) KDM4EKMT2AALDH1A1PSMD14COPS5
SCHEMBL26964191 0.79 KDM4E (0.65) KDM4EKMT2AALDH1A1PSMD14COPS5
SCHEMBL1787225 0.78 KDM4E (1.00) KDM4EMETAP2TSHRMMP2CHRM1
SCHEMBL23954391 0.77 KDM4E (0.63) KDM4EMETAP2TSHRMMP2CHRM1
Jineol SCHEMBL4213727 0.77 KDM4E (0.67) KDM4EMETAP2TSHRMMP2CHRM1
Jineol SCHEMBL29696064 0.77 KDM4E (0.67) KDM4EMETAP2TSHRMMP2CHRM1
Hydrochloric Acid SCHEMBL9333864 0.76 KDM4E (0.96) KDM4EMETAP2TSHRMMP2CHRM1
SCHEMBL27824094 0.76 KDM4E (0.96) KDM4EMETAP2TSHRMMP2CHRM1
Jineol SCHEMBL28133873 0.76 KDM4E (0.65) KDM4EMETAP2TSHRMMP2CHRM1
SCHEMBL14046290 0.74 KDM4E (0.62) KDM4EMETAP2TSHRMMP2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202111-B1 ANTIBACTERIAL MYCAMINOSYL TYLONOLIDE DERIVATIVES AND THEIR PRODUCTION ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-09-13 EP claimed
EP-0202111-A1 Antibacterial mycaminosyl tylonolide derivatives and their production ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1986-11-20 EP claimed
US-5101022-A Macrolactone Antibiotics YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-03-31 US disclosed
US-4945081-A Antibiotic, bactericide YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-31 US disclosed
US-4914192-A ANTIBIOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US disclosed
EP-0202111-B1 ANTIBACTERIAL MYCAMINOSYL TYLONOLIDE DERIVATIVES AND THEIR PRODUCTION ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-09-13 EP disclosed
US-4794173-A BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-27 US disclosed
EP-0202111-A1 Antibacterial mycaminosyl tylonolide derivatives and their production ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1986-11-20 EP disclosed