SCHEMBL9638709

SCHEMBL9638709

CCCC(=O)O[C@H](CCl)CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 5/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 3/20 0.34
MEN1 O00255 3/20 0.33
GMNN O75496 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
TP53 P04637 3/20 0.33
TSHR P16473 3/20 0.33
HSP90AA1 P07900 2/20 0.33
BLM P54132 2/20 0.33
NR1H4 Q96RI1 2/20 0.33

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
SCHEMBL9638704 1.00 LMNA (0.40) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL9744611 0.87 HDAC3 (0.42) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL11101582 0.85 HDAC3 (0.38) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL15519768 0.80 ALDH1A1 (0.48) LMNAMAPK1MAPTALDH1A1CYP1A2
SCHEMBL27830247 0.80 ALDH1A1 (0.40) LMNAMAPK1MAPTALDH1A1CYP1A2
SCHEMBL9657353 0.78 CYP2D6 (0.41) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL9657356 0.78 CYP2D6 (0.41) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL9743287 0.77 MAPK1 (0.47) LMNAMAPK1MAPTALDH1A1CYP2D6
SCHEMBL9745613 0.76 MAPK1 (0.54) LMNAMAPK1MAPTALDH1A1CYP2D6
SCHEMBL9743364 0.76 MAPK1 (0.54) LMNAMAPK1MAPTALDH1A1CYP2D6

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-0288994-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS Chisso Corporation (JP) 1992-07-22 EP disclosed
US-4962031-A SPECIFIC COMPOUNDS HAVING HYDROXYL GROUPS REACTED WITH ESTERS IN PRESENCE OF HYDROLASES CHISSO CORPORATION (JP) 1990-10-09 US disclosed
EP-0288994-A2 Process for producing optically active compounds Chisso Corporation (JP) 1988-11-02 EP disclosed