SCHEMBL11324841

SCHEMBL11324841

COC(=O)CCc1ccccc1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GLA P06280 1/20 0.53
PPARD Q03181 1/20 0.50
PTGDR2 Q9Y5Y4 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TBXAS1 P24557 2/20 0.46

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
SCHEMBL7340039 0.85 L3MBTL1 (0.63) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL3930253 0.84 HTR1A (0.59) L3MBTL1ALDH1A1HPGDTDP1KDM4E
SCHEMBL2965106 0.82 MTNR1A (0.61) POLBALDH1A1
SCHEMBL4576444 0.81 L3MBTL1 (0.66) L3MBTL1POLBSMN1; SMN2GLAPPARD
SCHEMBL3140786 0.81 PPARD (0.55) L3MBTL1PPARDHPGDTSHR
SCHEMBL31155848 0.81 PPARD (0.52) L3MBTL1POLBPPARDTSHRTDP1
SCHEMBL10438855 0.80 CYP4F2 (0.58) SMN1; SMN2ALDH1A1HPGDTSHRTDP1
SCHEMBL31155854 0.79 PPARD (0.54) PPARD
SCHEMBL3266929 0.79 PPARD (0.54) PPARD
SCHEMBL4752622 0.79 L3MBTL1 (0.63) L3MBTL1POLBSMN1; SMN2GLAPTGDR2

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-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed