SCHEMBL9657353

SCHEMBL9657353

CCCC(=O)OC(C)CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CTSK P43235 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
FAAH O00519 4/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 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
SCHEMBL9657356 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28611085 0.87 LMNA (0.57) CYP2D6LMNAALDH1A1MAPTMAPK1
SCHEMBL28611084 0.87 LMNA (0.57) CYP2D6LMNAALDH1A1MAPTMAPK1
SCHEMBL9744611 0.81 HDAC3 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL34471491 0.80 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27929482 0.79 TSHR (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11101582 0.79 HDAC3 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9638704 0.78 LMNA (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9638709 0.78 LMNA (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10446 0.78 ALDH1A1 (0.55) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266217-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS CHISSO CORPORATION (JP) 1992-12-30 EP disclosed
US-4916074-A ENZYMATIC TRANS ESTERIFICATION OF ALCOHOL WITH TRIGLYCERIDES; PSEUDOMONAS-DERIVED ENZYME CHISSO CORPORATION (JP) 1990-04-10 US disclosed
EP-0266217-A2 Process for producing optically active compounds CHISSO CORPORATION (JP) 1988-05-04 EP disclosed