SCHEMBL11512014

SCHEMBL11512014

O=C(O)CC1CCC=C(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
DRD4 P21917 3/20 0.52
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DGAT1 O75907 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL9684548 0.81 DRD2 (0.56) DRD2DRD3DRD4
SCHEMBL7803709 0.75 NPC1 (0.45) DRD2DRD3DRD4
SCHEMBL7815804 0.75 NPC1 (0.45) DRD2DRD3DRD4
SCHEMBL6847027 0.72 DRD2 (0.47) DRD2DRD3DRD4MAPT
SCHEMBL7304447 0.71 DGAT1 (0.58) ALDH1A1POLBMAPTTDP1DGAT1
SCHEMBL7292707 0.71 DGAT1 (0.58) ALDH1A1POLBMAPTTDP1DGAT1
SCHEMBL3406500 0.71 DGAT1 (0.58) ALDH1A1POLBMAPTTDP1DGAT1
SCHEMBL30612421 0.71 DGAT1 (0.58) ALDH1A1POLBMAPTTDP1DGAT1
Maleic Acid SCHEMBL8763115 0.71 DRD2 (0.41) DRD2DRD3DRD4ALDH1A1
SCHEMBL8683776 0.71 DRD2 (0.49) DRD2DRD3DRD4

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
US-4176196-A Hypoglycemic arylcyclohexane acetic acids PFIZER INC. (US) 1979-11-27 US disclosed