SCHEMBL6819985

SCHEMBL6819985

CC(C)(C)OC(=O)NC(CO)CCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
SYK P43405 1/20 0.44
CTSK P43235 6/20 0.43
CTSS P25774 4/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
MMP13 P45452 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL6819990 1.00 ATM (0.49) ATMITGB3ITGA2BSYKCTSK
SCHEMBL19382648 0.86 ATM (0.51) ATMSYKCTSKCTSSMMP13
SCHEMBL8435204 0.84 MTNR1A (0.48) ATMITGB3ITGA2BCTSKCTSS
SCHEMBL9089276 0.83 ITGB3 (0.58) ITGB3ITGA2BCTSKCTSSMMP13
SCHEMBL9089274 0.83 ITGB3 (0.58) ITGB3ITGA2BCTSKCTSSMMP13
SCHEMBL9089268 0.83 ITGB3 (0.58) ITGB3ITGA2BCTSKCTSSMMP13
SCHEMBL1569316 0.82 PPARA (0.59) ATMSYKCTSKCTSSCTSL
SCHEMBL35211707 0.82 PPARA (0.59) ATMSYKCTSKCTSSCTSL
SCHEMBL1363391 0.82 PPARA (0.59) ATMSYKCTSKCTSSCTSL
SCHEMBL3570361 0.82 TDP1 (0.48) MTNR1AMTNR1BPPARAPPARG

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-0876388-B1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2004-02-18 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed