SCHEMBL2579739

SCHEMBL2579739

O=C(O)CC(C1CCCCC1)(C1CCCCC1)C(CC(=O)O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
EPHX2 P34913 1/20 0.35
KDM5A P29375 3/20 0.35
PHF8 Q9UPP1 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL31352036 0.81 ALDH1A1 (0.36) ALDH1A1EPHX2KDM5APHF8KDM2A
SCHEMBL20168656 0.79 KEAP1 (0.37) ALDH1A1EPHX2KDM5APHF8KDM2A
SCHEMBL8131339 0.79 KEAP1 (0.37) ALDH1A1EPHX2KDM5APHF8KDM2A
SCHEMBL9129355 0.79 ALDH1A1 (0.35) ALDH1A1EPHX2KDM5APHF8KDM2A
Cyclobutoic Acid SCHEMBL2109852 0.77 CHRM1 (0.46) ALDH1A1EPHX2LMNAKEAP1NFE2L2
SCHEMBL10358243 0.77 KEAP1 (0.36) ALDH1A1EPHX2KDM5APHF8KDM2A
SCHEMBL11209404 0.77 ALDH1A1 (0.34) ALDH1A1EPHX2KDM5APHF8KDM2A
SCHEMBL10942267 0.76 ALDH1A1 (0.39) ALDH1A1EPHX2LMNAKEAP1NFE2L2
SCHEMBL6282896 0.76 ALDH1A1 (0.36) ALDH1A1EPHX2CES2CES1LMNA
SCHEMBL10360945 0.76 FDPS (0.38) ALDH1A1EPHX2KEAP1NFE2L2HMGCR

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
US-8048981-B2 Thermally curable compositions and method GENERAL ELECTRIC COMPANY (US) 2011-11-01 US disclosed
US-20080051553-A1 Thermally curable compositions and method GENERAL ELECTRIC COMPANY 2008-02-28 US disclosed