SCHEMBL11323391

SCHEMBL11323391

C=CC(CC(OC(=O)CC(C)=O)c1ccccc1)OC(C=C)CC(OC(=O)CC(C)=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL26632725 0.78 KMT2A (0.41) LMNAPABPC1APOBEC3AAPOBEC3GKMT2A
SCHEMBL11127289 0.77 CYP2C19 (0.37) PABPC1APOBEC3AAPOBEC3GCYP2C19PPARG
SCHEMBL7258659 0.74 ALDH1A1 (0.42) CYP2C19KMT2AALDH1A1CYP3A4TSHR
SCHEMBL27817920 0.73 PPARG (0.49) PPARGPPARAKMT2AALDH1A1TSHR
SCHEMBL11326527 0.73 MGAM (0.38)
SCHEMBL5493235 0.73 ALDH1A1 (0.46) KMT2AMTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL5402590 0.73 CRHBP (0.54) LMNAKMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL31274030 0.71 PABPC1 (0.47) LMNAPABPC1APOBEC3AAPOBEC3GCYP2C19
SCHEMBL3320372 0.71 HCAR2 (0.51) KMT2AMTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL3320374 0.71 HCAR2 (0.51) KMT2AMTNR1AMTNR1BALDH1A1CYP3A4

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-4296226-A Vinyl polymer with acetylacetoxy groups, process for its manufacture and an agent obtained thereof HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-20 US disclosed