SCHEMBL9219486

SCHEMBL9219486

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
FOLH1 Q04609 6/20 0.37
LMNA P02545 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ACE P12821 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
BLM P54132 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
SCHEMBL9215031 0.87 LMNA (0.44) FOLH1LMNACYP1A2BLM
SCHEMBL9219380 0.86 LMNA (0.47) LMNACYP1A2BLM
SCHEMBL28023400 0.84 LMNA (0.44) CA1FOLH1LMNACYP1A2
SCHEMBL9065289 0.82 ALDH1A1 (0.46) LMNAACESMN1; SMN2CYP1A2BLM
SCHEMBL28022822 0.81 LMNA (0.50) CA1LMNA
SCHEMBL28184387 0.81 LMNA (0.50) CA1LMNA
SCHEMBL28820886 0.81 LMNA (0.50) CA1LMNA
SCHEMBL29176812 0.80 ALDH1A1 (0.44) LMNAACESMN1; SMN2CYP1A2BLM
SCHEMBL17101672 0.80 MMP1 (0.57) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL2988078 0.78 CA1 (0.43) CA1LMNAMMP1MMP2MMP3

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
WO-1995005159-A1 ACYLATED HYDROXYALKANOATES AND THEIR USES UNILEVER PLC (GB) 1995-02-23 WO disclosed