SCHEMBL17772121

SCHEMBL17772121

CC(CCCCCC1(C(=O)O)CC1)CCCCCC1(C(=O)ON)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ ACE2 Q9BYF1 1/20 0.38
▸ BLM P54132 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.32
▸ TBXAS1 P24557 2/20 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
SCHEMBL2737126 0.78 ACE2 (0.39) CYP4F2CYP4A11ACE2BLMTBXAS1
SCHEMBL30959045 0.77 BLM (0.41) CYP4F2CYP4A11ACE2BLMCPB2
SCHEMBL31157050 0.77 BLM (0.41) CYP4F2CYP4A11ACE2BLMCPB2
SCHEMBL31157063 0.77 BLM (0.41) CYP4F2CYP4A11ACE2BLMCPB2
SCHEMBL31157055 0.77 BLM (0.41) CYP4F2CYP4A11ACE2BLMCPB2
SCHEMBL31157064 0.77 BLM (0.41) CYP4F2CYP4A11ACE2BLMCPB2
SCHEMBL2737164 0.75 ACACB (0.51) CYP4F2CYP4A11ACE2BLMTBXAS1
SCHEMBL797961 0.74 CYP4F2 (0.69) CYP4F2CYP4A11TBXAS1
SCHEMBL797992 0.73 TBXAS1 (0.45) CYP4F2CYP4A11CPB2TBXAS1
SCHEMBL798204 0.73 TBXAS1 (0.45) CYP4F2CYP4A11CPB2TBXAS1

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
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 — — EP disclosed
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