SCHEMBL10396183

SCHEMBL10396183

O=C(O)C1C(=O)CC2C(C(=O)O)C(=O)CC12

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGB2 P05107 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL9729414 0.79 GRM2 (0.33) GRM8GRM6GRM2GRM3
SCHEMBL14635952 0.75 HSD11B1 (0.31)
SCHEMBL1879279 0.71 CYP2C19 (0.35) GRM8GRM6GRM2GRM3CYP2C19
SCHEMBL4611943 0.67
SCHEMBL9729321 0.66 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL9729328 0.66 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL19927564 0.66 CRBN (0.32) CYP2C19MEN1KMT2A
SCHEMBL775170 0.65 TRIM24 (0.32) GRM8GRM6GRM2GRM3CYP2C19
SCHEMBL1415539 0.65 GRM8 (0.39) GRM8GRM6GRM2GRM3CYP2C19
SCHEMBL3464997 0.63 POLB (0.39) GRM8GRM6GRM2GRM3CYP2C19

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-4960907-A Partially saponifying; delarboxylating diesters; optional ketalization SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed