SCHEMBL6036780

SCHEMBL6036780

O=C(O)OC1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.47
▸ HSD11B1 P28845 6/20 0.44
▸ CCR2 P41597 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ DRD2 P14416 9/20 0.39
▸ DRD4 P21917 9/20 0.39
▸ DRD3 P35462 9/20 0.39

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
SCHEMBL7490230 0.93 HDAC4 (0.42) HDAC4HSD11B1CCR2DRD2DRD4
SCHEMBL6036843 0.83 AKR1C1 (0.52) HDAC4HSD11B1
SCHEMBL6202645 0.82 OPRM1 (0.38) HSD11B1CCR2ALDH1A1DRD2DRD4
SCHEMBL9191673 0.81 AKR1C1 (0.50) HDAC4HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL3812202 0.81 HSD11B1 (0.43) HDAC4HSD11B1CCR2ALDH1A1SLC6A4
SCHEMBL10604944 0.81 WDR91 (0.41) HDAC4HSD11B1CCR2ALDH1A1
SCHEMBL3554785 0.80 DRD3 (0.54) HDAC4SLC6A4SLC6A3DRD2DRD4
SCHEMBL24616793 0.78 HSD11B1 (0.38) HDAC4HSD11B1CCR2ALDH1A1DRD2
SCHEMBL4903380 0.78 HSD11B1 (0.41) HDAC4HSD11B1CCR2ALDH1A1SLC6A4
SCHEMBL32679691 0.77 SLC6A4 (0.46) HDAC4HSD11B1ALDH1A1SLC6A4SLC6A3

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
EP-2352876-B1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2012-12-12 — — EP claimed
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 — — EP disclosed
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