SCHEMBL19155366

SCHEMBL19155366

CCCC(C)(C)CC(=O)N(CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH2 P05091 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL14945734 0.78 ALDH1A1 (0.42) ALDH1A1HPGDTDP1ALDH2POLB
SCHEMBL22199530 0.78 ALDH1A1 (0.40) ALDH1A1HPGDTDP1POLB
SCHEMBL22791093 0.77 POLB (0.34) ALDH1A1HPGDALDH2POLB
SCHEMBL22799902 0.74 ALDH1A1 (0.34) ALDH1A1HPGDFFAR1CPT2TDP1
SCHEMBL29599475 0.74 ALDH1A1 (0.36) ALDH1A1HPGDPOLB
SCHEMBL13407583 0.72 ALDH1A1 (0.48) ALDH1A1HPGDTDP1POLB
SCHEMBL26043612 0.72 NAAA (0.35) CYP4F2CYP4A11
SCHEMBL26043609 0.71 DNM1 (0.56) ALDH1A1
SCHEMBL6022025 0.70 ALDH1A1 (0.50) ALDH1A1HPGDALDH2POLB
SCHEMBL3628031 0.69 POLB (0.41) ALDH1A1HPGDTDP1ALDH2POLB

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
US-9714214-B2 Natural oil derivatives including (meth)acrylate functional groups ELEVANCE RENEWABLE SCIENCES, INC. (US) 2017-07-25 US disclosed