SCHEMBL9658708

SCHEMBL9658708

CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.51
LPAR1 Q92633 8/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AGTR1 P30556 10/20 0.42
AGTR2 P50052 9/20 0.42
LPAR5 Q9H1C0 2/20 0.42

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
SCHEMBL9590068 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9430294 0.80 AGTR1 (0.42) LTB4R2AGTR1AGTR2
SCHEMBL443392 0.80 LTB4R2 (0.55) LTB4R2AGTR1
SCHEMBL9592768 0.80 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL446384 0.80 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL446089 0.80 LTB4R2 (0.52) LTB4R2AGTR1
SCHEMBL9430054 0.79 AGTR1 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL446830 0.79 LTB4R2 (0.53) LTB4R2LPAR1AGTR1
SCHEMBL443676 0.79 LTB4R2 (0.42) LTB4R2LPAR1AGTR1AGTR2
SCHEMBL443942 0.79 LTB4R2 (0.62) LTB4R2AGTR1

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
EP-0490820-A2 Biphenylyl compounds CIBA-GEIGY AG (CH) 1992-06-17 EP claimed
EP-0490820-A2 Biphenylyl compounds CIBA-GEIGY AG (CH) 1992-06-17 EP disclosed