SCHEMBL3717786

SCHEMBL3717786

Oc1ccc(OCC2CC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.46
PARP15 Q460N3 7/20 0.46
PARP2 Q9UGN5 2/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACACB O00763 1/20 0.43
PDK2 Q15119 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL3721180 0.92 PARP10 (0.50) PARP10PARP15PDK2HPGD
SCHEMBL23484635 0.86 PARP10 (0.46) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL1391139 0.80 PARP15 (0.44) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL22817029 0.80 PARP10 (0.49) PARP10PARP15PARP2PDK2HPGD
SCHEMBL14985947 0.79 PPARA (0.37) ACACBHPGD
SCHEMBL19951551 0.79 PARP15 (0.46) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL3720859 0.79 PARP10 (0.46) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL15985640 0.79 PARP15 (0.46) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL29993061 0.79 PARP15 (0.46) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL15969380 0.78 PARP10 (0.50) PARP10PARP15PARP2ACACB

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
WO-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed