SCHEMBL8435205

SCHEMBL8435205

CC(C)(C)OC(=O)[C@H](CN)CCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
LTA4H P09960 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
PPARA Q07869 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PPARG P37231 1/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 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
SCHEMBL12656010 0.80 TDP1 (0.49) TDP1LTA4HPPARAPARP10HPGD
SCHEMBL6819996 0.80 LTA4H (0.45) TDP1LTA4HRAB9ANPC1POLB
SCHEMBL29097138 0.76 ITGB3 (0.51) PPARAPPARG
SCHEMBL29850617 0.75 LMNA (0.51) LTA4HMTNR1AMTNR1BMAPT
SCHEMBL29096844 0.75 MMP13 (0.47) TDP1LTA4HRAB9ANPC1POLB
SCHEMBL7759139 0.74 MAPK1 (0.45) TDP1LTA4HPOLBPPARAPPARG
SCHEMBL6945866 0.74 MAPK1 (0.45) TDP1LTA4HPOLBPPARAPPARG
SCHEMBL7759143 0.74 MAPK1 (0.45) TDP1LTA4HPOLBPPARAPPARG
SCHEMBL7368573 0.74 PPARG (0.53) TDP1RAB9ANPC1PPARATAAR1
SCHEMBL14681221 0.74 ITGB3 (0.49) TDP1PPARAPPARGNFKB1NFKB2

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-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
EP-0876388-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
WO-1997017356-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-05-15 WO disclosed