SCHEMBL4245440

SCHEMBL4245440

CC(O)C(O)OC(=O)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2A Q9Y2K7 4/20 0.43
EGLN1 Q9GZT9 3/20 0.43
KDM6B O15054 2/20 0.43
KDM5C P41229 2/20 0.43
PHF8 Q9UPP1 2/20 0.43
LMNA P02545 5/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
SLC15A2 Q16348 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37

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
SCHEMBL3133548 0.86 LMNA (0.48) LMNATSHRMAPTMAPK1
SCHEMBL1896624 0.83 ALDH1A1 (0.43) LMNASLC15A2TSHRMAPTMAPK1
SCHEMBL1898675 0.83 ALDH1A1 (0.43) LMNASLC15A2TSHRMAPTMAPK1
SCHEMBL11018187 0.83 EGLN1 (0.43) KDM2AEGLN1KDM6BKDM5CPHF8
SCHEMBL902897 0.82 EGLN1 (0.46) KDM2AEGLN1KDM6BKDM5CPHF8
SCHEMBL10936262 0.82 LMNA (0.52) LMNACYP1A2TSHRMAPTMAPK1
SCHEMBL9609254 0.82 KDM2A (0.39) KDM2AEGLN1KDM6BKDM5CPHF8
Stearic Acid SCHEMBL9146573 0.80 LMNA (0.61) LMNATSHRMAPTMAPK1
SCHEMBL24454652 0.79 EGLN1 (0.48) KDM2AEGLN1KDM6BKDM5CPHF8
SCHEMBL191308 0.79 LMNA (0.54) KDM2AEGLN1KDM6BKDM5CPHF8

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-2039740-A1 METAL WORKING OIL COMPOSITION, METHOD OF METAL WORKING, AND PRODUCT OF METAL WORKING KYODO YUSHI CO., LTD. (JP) 2009-03-25 EP disclosed