SCHEMBL1381833

SCHEMBL1381833

CC(=O)OCCc1cc(OC(C)=O)cc(OC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.49
▸ CYP4A11 Q02928 1/20 0.49
▸ LMNA P02545 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ ALOX5 P09917 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 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
SCHEMBL10183039 0.88 CYP4F2 (0.58) CYP4F2CYP4A11LMNACYP3A4KDM4E
SCHEMBL27643038 0.85 TNKS2 (0.49) MAPTMEN1KMT2ASMN1; SMN2TNKS2
SCHEMBL6017296 0.85 CYP4F2 (0.43) CYP4F2CYP4A11LMNACYP3A4KDM4E
SCHEMBL2387797 0.81 LMNA (0.52) LMNACYP3A4KDM4ETP53MAPT
SCHEMBL1379954 0.81 CYP4F2 (0.56) CYP4F2CYP4A11LMNACYP3A4KDM4E
Hydrochloric Acid SCHEMBL30505279 0.79 ALDH1A1 (0.50) CYP4F2CYP4A11LMNACYP3A4KDM4E
SCHEMBL718523 0.79 MAPT (0.56) CYP4F2CYP4A11LMNACYP3A4KDM4E
SCHEMBL1382107 0.79 CYP4F2 (0.50) CYP4F2CYP4A11LMNACYP3A4KDM4E
SCHEMBL10149317 0.79 LMNA (0.52) CYP4F2CYP4A11LMNACYP3A4KDM4E
SCHEMBL10149033 0.78 SMN1; SMN2 (0.55) CYP4F2CYP4A11LMNACYP3A4KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4806351-B2 — — 2011-11-02 — — JP claimed
EP-1663926-A2 PROCESS FOR THE PREPARATION OF STILBENE DERIVATIVES DSM IP Assets B.V. (NL) 2006-06-07 — — EP claimed
WO-2005023740-A2 PROCESS FOR THE PREPARATION OF STILBENE DERIVATIVES DSM IP ASSETS B.V. (NL) 2005-03-17 — — WO claimed
EP-1663926-A2 PROCESS FOR THE PREPARATION OF STILBENE DERIVATIVES DSM IP Assets B.V. (NL) 2006-06-07 — — EP disclosed
WO-2005023740-A2 PROCESS FOR THE PREPARATION OF STILBENE DERIVATIVES DSM IP ASSETS B.V. (NL) 2005-03-17 — — WO disclosed
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