SCHEMBL9529401

SCHEMBL9529401

CCC(C)C(CC=S)c1ncnn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
BRS3 P32247 4/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL6008001 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9529590 0.84 FOLH1 (0.41) FOLH1LTB4RLTB4R2HDAC1HDAC6
SCHEMBL6005968 0.78 AGTR1 (0.44) AGTR1AGTR2BRS3
SCHEMBL6007271 0.76 AGTR1 (0.46) AGTR1AGTR2BRS3
SCHEMBL6006118 0.75 BRS3 (0.46) AGTR1AGTR2BRS3
SCHEMBL6004609 0.74 AGTR1 (0.45) AGTR1AGTR2BRS3
SCHEMBL6007274 0.74 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL6006332 0.73 BRS3 (0.43) AGTR1AGTR2BRS3
SCHEMBL6007542 0.73 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL6005906 0.73 BRS3 (0.49) AGTR1AGTR2BRS3

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-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed