SCHEMBL6034665

SCHEMBL6034665

Cc1cc2c(C)cc1C(=O)OCCOC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
NQO1 P15559 2/20 0.32
POR P16435 2/20 0.32
KCNJ1 P48048 1/20 0.32
MAPT P10636 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ATM Q13315 1/20 0.31
ITGB2 P05107 1/20 0.31

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
SCHEMBL4378541 0.79 MAOA (0.38) ALDH1A1MAOAMAOBLMNAMAPT
SCHEMBL11985833 0.76 DRD2 (0.39) ALDH1A1KDM4ETSHRMAOAMAOB
SCHEMBL30057762 0.72 POLB (0.38) ALDH1A1KDM4ELMNAATMHTT
SCHEMBL10831596 0.71 MAOA (0.38) ALDH1A1GAAKDM4EHPGDTSHR
SCHEMBL11682672 0.71 MAOA (0.36) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL26529442 0.71 ATAD2 (0.37) ALDH1A1GAAKDM4ETSHRHSD17B10
SCHEMBL3733365 0.70 ALOX15 (0.55) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL11648484 0.70 MAOA (0.33) GAAMAOAMAOBCYP3A4LMNA
SCHEMBL25546732 0.70 CYP3A4 (0.58) ALDH1A1GAAKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL23174308 0.69 ALOX15 (0.52) ALDH1A1KDM4EHPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651438-A1 MULTILAYER ORIENTED HIGH-MODULUS FILM Cryovac, Inc. (US) 2006-05-03 EP disclosed
WO-2005011978-A1 MULTILAYER ORIENTED HIGH-MODULUS FILM CRYOVAC, INC. (US) 2005-02-10 WO disclosed