SCHEMBL7208445

SCHEMBL7208445

CCOC(=O)CCc1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.60
CYP4A11 Q02928 3/20 0.60
TOP2A P11388 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDYL Q9Y232 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL5717650 0.91 CYP4F2 (0.63) CYP4F2CYP4A11TOP2AMAPTLMNA
SCHEMBL4059940 0.85 KDM4E (0.50) MAPTKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL6174947 0.85 PKM (0.54) TOP2AMAPTLMNAKDM4EALDH1A1
SCHEMBL27718342 0.84 ALDH1A1 (0.46) CYP4F2CYP4A11TOP2ALMNAKDM4E
SCHEMBL1362448 0.83 KMT2A (0.53) CYP4F2CYP4A11TOP2AMAPTLMNA
SCHEMBL590805 0.82 MTNR1A (0.65) LMNAKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL21820692 0.81 LOXL2 (0.49) ALDH1A1CYP1A2LOXL2
SCHEMBL2699530 0.80 MTNR1A (0.54) CYP4F2CYP4A11LMNAKDM4EALDH1A1
SCHEMBL1650885 0.79 CYP1A2 (0.55) LMNAKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL69660 0.78 CYP4F2 (0.86) CYP4F2CYP4A11MAPTLMNAKDM4E

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-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed