SCHEMBL7422822

SCHEMBL7422822

CC(C)C[C@@H](C(=O)O)N(CCc1ccc(OCCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.51
LTB4R Q15722 3/20 0.46
LTB4R2 Q9NPC1 3/20 0.46
ALOX5 P09917 2/20 0.44
PPARG P37231 2/20 0.44
PTGES O14684 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL7422318 1.00 FFAR1 (0.51) FFAR1LTB4RLTB4R2ALOX5PPARG
SCHEMBL7378945 0.87 MEN1 (0.48)
SCHEMBL7423137 0.86 FFAR1 (0.48) FFAR1
SCHEMBL7426506 0.82 MMP2 (0.45) LTA4H
SCHEMBL7421351 0.82 MMP13 (0.48) LTB4RLTB4R2
SCHEMBL7381782 0.81 HPGD (0.47) ALOX5
SCHEMBL7426589 0.81 MAOB (0.51) FFAR1LTB4RLTB4R2ALOX5
SCHEMBL7423336 0.81 PARP10 (0.46) FFAR1LTB4RLTB4R2ALOX5
SCHEMBL7421865 0.81 MAOB (0.51) FFAR1LTB4RLTB4R2ALOX5
SCHEMBL7424617 0.80 MAOB (0.42) FFAR1LTB4RLTB4R2ALOX5

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed