SCHEMBL8396115

SCHEMBL8396115

O=C(O)C12CCCCC1(C(=O)O)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
FFAR3 O14843 1/20 0.38
AKR1C1 Q04828 1/20 0.37
HDAC4 P56524 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11208917 0.97 CYP2C19 (0.42) CYP2C19FFAR3AKR1C1NPSR1USP2
SCHEMBL23245204 0.97 CYP2C19 (0.42) CYP2C19FFAR3AKR1C1NPSR1USP2
SCHEMBL358029 0.93 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1HDAC4NPSR1
SCHEMBL10276856 0.93 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1HDAC4NPSR1
SCHEMBL7018595 0.93 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1HDAC4NPSR1
SCHEMBL9372565 0.93 CYP2C19 (0.40) CYP2C19FFAR3AKR1C1NPSR1USP2
SCHEMBL3831087 0.93 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1HDAC4NPSR1
SCHEMBL8678814 0.89 FFAR3 (0.44) CYP2C19FFAR3AKR1C1
SCHEMBL28407071 0.84 CYP2C19 (0.39) CYP2C19FFAR3AKR1C1NPSR1USP2
SCHEMBL7735493 0.83 FFAR3 (0.38) CYP2C19FFAR3AKR1C1

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-0914394-A1 COATING AGENT BASED ON A BRANCHED HYDROXYL GROUP-CONTAINING POLYESTER-MODIFIED POLYACRYLATE RESIN AND USE THEREOF BASF Coatings AG (DE) 1999-05-12 EP disclosed
WO-1998003598-A1 COATING AGENT BASED ON A BRANCHED HYDROXYL GROUP-CONTAINING POLYESTER-MODIFIED POLYACRYLATE RESIN AND USE THEREOF BASF COATINGS AG (DE) 1998-01-29 WO disclosed