SCHEMBL7833969

SCHEMBL7833969

CC(=O)OC(C)CCc1cc(Oc2ccccc2)n2nccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
ACACB O00763 5/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
KCNN3 Q9UGI6 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK3 Q00526 1/20 0.31
MCL1 Q07820 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
SCHEMBL7831612 0.91 LOXL2 (0.41) LOXL2PDE10ACCNT1CDK1CDK4
SCHEMBL7821319 0.90 LOXL2 (0.40) LOXL2PDE10ACCNT1CDK1CDK4
SCHEMBL7833781 0.89 LOXL2 (0.47) LOXL2KCNN3
SCHEMBL7832654 0.86 LOXL2 (0.39) LOXL2KCNN3
SCHEMBL7821397 0.86 KDM5A (0.39) LOXL2PPARDPPARAMCL1
SCHEMBL7835481 0.85 LOXL2 (0.38) LOXL2PDE10ACCNT1CDK1CDK4
SCHEMBL7831627 0.85 LOXL2 (0.50) LOXL2KCNN3PDE10ACCNT1CDK1
SCHEMBL7831741 0.83 LOXL2 (0.36) LOXL2ACACBPDE10A
SCHEMBL7833790 0.81 MAPT (0.38) LOXL2
SCHEMBL7831449 0.80 PDE10A (0.43) LOXL2KCNN3PDE10ACCNT1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP disclosed