SCHEMBL3721180

SCHEMBL3721180

Oc1ccc(OCC2CCCCC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.50
PARP15 Q460N3 7/20 0.50
HPGD P15428 1/20 0.50
MAOA P21397 2/20 0.47
MAOB P27338 2/20 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
SCHEMBL3717786 0.92 PARP10 (0.46) PARP10PARP15HPGDPDK2
SCHEMBL22817029 0.86 PARP10 (0.49) PARP10PARP15HPGDMAOAMAOB
SCHEMBL6299828 0.82 HPGD (0.48) PARP10PARP15HPGDMAOAMAOB
SCHEMBL25901096 0.81 PARP10 (0.64) PARP10PARP15MAOAMAOBPDK2
SCHEMBL3727211 0.81 PARP10 (0.51) PARP10PARP15MAOAMAOBPDK2
SCHEMBL3721537 0.81 PARP10 (0.51) PARP10PARP15MAOAMAOBPDK2
SCHEMBL34474826 0.81 PARP10 (0.50) PARP10PARP15HPGDMAOAMAOB
SCHEMBL5673776 0.81 PARP10 (0.50) PARP10PARP15HPGDMAOAMAOB
SCHEMBL6299517 0.80 HPGD (0.49) PARP10PARP15HPGDMAOAMAOB
SCHEMBL5674025 0.79 PARP10 (0.49) PARP10PARP15HPGDMAOAMAOB

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