SCHEMBL3753187

SCHEMBL3753187

CCC(CC)CC(CCCCC(C)C(=O)O)(CC(CC)CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
LTA4H P09960 1/20 0.40
BLM P54132 1/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
GABRR1 P24046 2/20 0.36
CYP1A2 P05177 1/20 0.36
TBXAS1 P24557 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.31

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
SCHEMBL3747170 0.98 ACE2 (0.44) ACE2LTA4HBLMACACBACACA
SCHEMBL3755248 0.98 ACE2 (0.44) ACE2LTA4HBLMACACBACACA
SCHEMBL3749501 0.98 ACE2 (0.44) ACE2LTA4HBLMACACBACACA
SCHEMBL3740342 0.97 BLM (0.42) ACE2LTA4HBLMACACBACACA
SCHEMBL3747079 0.88 GABRR1 (0.39) ACE2LTA4HBLMACACBACACA
SCHEMBL3741056 0.83 ACE2 (0.40) ACE2LTA4HBLMACACBACACA
SCHEMBL3743448 0.81 ACE2 (0.42) ACE2LTA4HBLMACACBACACA
SCHEMBL3750697 0.81 ACE2 (0.42) ACE2LTA4HBLMACACBACACA
SCHEMBL3753568 0.81 ACE2 (0.42) ACE2LTA4HBLMACACBACACA
SCHEMBL3745276 0.79 GABRR1 (0.34) ACE2BLMGABRR1CYP1A2

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-9079850-B2 Cosmetic compositions containing esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2015-07-14 US disclosed
US-20100292328-A1 Cosmetic Compositions Containing Esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-18 US disclosed