SCHEMBL5073222

SCHEMBL5073222

CCCCCCCCCCC(CC(=O)O)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.45
TBXA2R P21731 3/20 0.42
TBXAS1 P24557 9/20 0.42
CYP17A1 P05093 1/20 0.41
PIK3R1 P27986 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
PIK3CA P42336 1/20 0.41
AKT3 Q9Y243 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
Bicarbonate SCHEMBL29180173 0.90 TBXAS1 (0.44) GPR84TBXA2RTBXAS1CYP17A1PIK3R1
SCHEMBL27839878 0.88 CYP17A1 (0.43) TBXA2RTBXAS1CYP17A1KDM4E
SCHEMBL15153456 0.87 TBXA2R (0.51) GPR84TBXA2RTBXAS1
SCHEMBL15153454 0.87 TBXA2R (0.51) GPR84TBXA2RTBXAS1
SCHEMBL15153349 0.87 TBXA2R (0.51) GPR84TBXA2RTBXAS1
SCHEMBL15153406 0.87 TBXA2R (0.51) GPR84TBXA2RTBXAS1
SCHEMBL15153572 0.87 TBXA2R (0.51) GPR84TBXA2RTBXAS1
SCHEMBL19611321 0.85 TBXAS1 (0.50) TBXA2RTBXAS1CYP17A1PIK3R1AKT1
SCHEMBL9722522 0.85 TBXAS1 (0.50) TBXA2RTBXAS1CYP17A1PIK3R1AKT1
SCHEMBL18885407 0.85 TBXAS1 (0.50) TBXA2RTBXAS1CYP17A1PIK3R1AKT1

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-1919281-A2 ANTIMICROBIAL COMPOSITION Kimberly-Clark Worldwide, Inc. (US) 2008-05-14 EP disclosed
WO-2007027898-A2 ANTIMICROBIAL COMPOSITION KIMBERLY-CLARK WORLDWIDE, INC. (US) 2007-03-08 WO disclosed