SCHEMBL5208726

SCHEMBL5208726

CCCCOC(=O)C(C)C[CH]CCC(C)C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.36
HCAR2 Q8TDS4 2/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16826935 0.77 ALDH1A1 (0.54) ATMALDH1A1HPGDTSHRLMNA
SCHEMBL7684082 0.76 ALDH1A1 (0.39) ATMALDH1A1HPGDTSHRLMNA
SCHEMBL17338136 0.75 ALOX15 (0.50) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL27540592 0.75 ATM (0.43) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL8046834 0.75 LMNA (0.47) ATMALDH1A1TSHRLMNAMAPT
SCHEMBL6900329 0.75 LMNA (0.48) ATMALDH1A1TSHRLMNATDP1
SCHEMBL5458029 0.75 ALDH1A1 (0.52) ATMALDH1A1HPGDTSHRLMNA
SCHEMBL6234940 0.75 ALDH1A1 (0.52) ATMALDH1A1HPGDTSHRLMNA
SCHEMBL1471817 0.75 ALDH1A1 (0.52) ATMALDH1A1HPGDTSHRLMNA
SCHEMBL18859460 0.75 ALDH1A1 (0.52) ATMALDH1A1HPGDTSHRLMNA

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-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed