SCHEMBL3722800

SCHEMBL3722800

Oc1ccc(OC2CCCC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGD P15428 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CSNK2A1 P68400 2/20 0.41
PDK2 Q15119 3/20 0.40
FFAR4 Q5NUL3 5/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL6224120 0.83 PARP10 (0.44) PTGS1PTGS2PARP10TSHRPDK2
SCHEMBL1049033 0.81 PDK2 (0.44) HPGDPTGS1PTGS2PARP10TSHR
SCHEMBL34474819 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HPGDHRH3
SCHEMBL3721762 0.79 PTGS1 (0.44) HRH3PTGS1PTGS2PARP10TSHR
SCHEMBL12476213 0.79 PTGS1 (0.41) PTGS1PTGS2PARP10TSHRPDK2
SCHEMBL25956126 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HPGDHRH3
SCHEMBL3416691 0.78 MAOB (0.54) HPGDHRH3PTGS1PTGS2PARP10
SCHEMBL15100422 0.78 HSD11B1 (0.40) SLC6A2SLC6A4SLC6A3TSHRHSD17B10
SCHEMBL7172082 0.78 HSD11B1 (0.40) SLC6A2SLC6A4SLC6A3TSHRHSD17B10
SCHEMBL15100425 0.78 HSD11B1 (0.40) SLC6A2SLC6A4SLC6A3TSHRHSD17B10

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