SCHEMBL3727211

SCHEMBL3727211

Cc1cc(OCC2CCCCC2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.51
PARP15 Q460N3 5/20 0.51
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
PDK2 Q15119 1/20 0.45

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
SCHEMBL3720859 0.92 PARP10 (0.46) PARP10PARP15PDK2
SCHEMBL2206445 0.88 PARP10 (0.51) PARP10PARP15MAOAMAOBPDK2
SCHEMBL18617050 0.83 PARP10 (0.53) PARP10PARP15MAOAMAOB
SCHEMBL3721180 0.81 PARP10 (0.50) PARP10PARP15MAOAMAOBPDK2
SCHEMBL14858182 0.81 PARP10 (0.50) PARP10PARP15MAOAMAOB
SCHEMBL21694070 0.81 PARP10 (0.51) PARP10PARP15MAOAMAOB
SCHEMBL3721537 0.81 PARP10 (0.51) PARP10PARP15MAOAMAOBPDK2
SCHEMBL25901096 0.81 PARP10 (0.64) PARP10PARP15MAOAMAOBPDK2
SCHEMBL24266751 0.79 PARP10 (0.48) PARP10PARP15MAOAMAOB
SCHEMBL9559103 0.79 CHEK1 (0.41) PARP10PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed