SCHEMBL18404602

SCHEMBL18404602

CC(C)c1cc(Cl)ccc1OCC1CN(C(=O)CC(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 6/20 0.55
▸ MDM2 Q00987 7/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ENPP2 Q13822 2/20 0.41
▸ ATXN2 Q99700 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL3108209 0.82 RBP4 (0.78) RBP4LMNATDP1
SCHEMBL13073779 0.81 RBP4 (0.54) RBP4MDM2LMNATP53TSHR
SCHEMBL23434873 0.77 IRAK4 (0.45) RBP4LMNAENPP2ATXN2
SCHEMBL3100108 0.74 RBP4 (0.78) RBP4LMNATDP1
SCHEMBL18404603 0.74 RBP4 (0.74) RBP4LMNATDP1
SCHEMBL18528838 0.74 TDP1 (0.64) TSHRTDP1PTGDRPTGDR2
SCHEMBL12409205 0.73 CYP4F2 (0.41) RBP4ENPP2ATXN2TSHRPTGDR
SCHEMBL3116386 0.72 RBP4 (0.76) RBP4LMNATDP1
SCHEMBL13073355 0.72 RBP4 (0.52) RBP4LMNATP53TSHRPTGDR2
SCHEMBL3111995 0.72 RBP4 (0.68) RBP4LMNATDP1

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
EP-2202223-B1 HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 — — EP disclosed
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