SCHEMBL6574399

SCHEMBL6574399

O=C(O)C1(CC2CCCO2)CCCO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 4/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.35
HCAR3 P49019 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL17451242 0.73 CYP2C19 (0.44) ALDH1A1KMT2ALMNAPOLBUSP2
SCHEMBL7604952 0.71 CYP4F2 (0.34)
SCHEMBL1812028 0.70 PPARG (0.33)
SCHEMBL15114533 0.70 CYP4F2 (0.33)
SCHEMBL7388048 0.70 CYP2C19 (0.42) ALDH1A1LMNAUSP2SMN1; SMN2L3MBTL1
SCHEMBL15157515 0.69 ALDH1A1 (0.33) ALDH1A1KMT2ALMNAPOLBUSP2
SCHEMBL1444277 0.69 KMT2A (0.35) ALDH1A1KMT2ALMNAPOLBUSP2
SCHEMBL7387048 0.67 CYP4F2 (0.32)
SCHEMBL15114542 0.66 CYP2C19 (0.33) ALDH1A1LMNAUSP2SMN1; SMN2KDM4E
Acetic Acid SCHEMBL1532391 0.66 KMT2A (0.49) ALDH1A1KMT2ALMNAPOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027395-B1 ENVIRONMENTALLY BENIGN ANTI-ICING OR DEICING FLUIDS MLI ASSOCIATES LLC (US) 2004-04-28 EP claimed
EP-0040889-B1 ACTIVATORS FOR ZIEGLER TYPE POLYMERIZATION CATALYSTS UNIROYAL, INC. (US) 1984-05-30 EP claimed