SCHEMBL25270367

SCHEMBL25270367

CCC(C)CC(O)(O)O.CCCCCC(O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
TP53 P04637 1/20 0.37
OPRM1 P35372 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
CA1 P00915 2/20 0.34
FFAR1 O14842 1/20 0.34
FDPS P14324 1/20 0.34
LMNA P02545 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
SCHEMBL16945875 0.82 LMNA (0.47) SPHK1TP53OPRM1ACE2GPR84
SCHEMBL680377 0.78
SCHEMBL28361229 0.78 GPR84 (0.48) SPHK1TP53OPRM1GPR84FFAR1
SCHEMBL29040593 0.77 SPHK1 (0.38) SPHK1TP53OPRM1ACE2GPR84
SCHEMBL22711678 0.76 GPR84 (0.46) SPHK1TP53OPRM1GPR84FFAR1
SCHEMBL1697125 0.76 GPR84 (0.50) SPHK1TP53OPRM1GPR84FFAR1
SCHEMBL26481 0.76
SCHEMBL8467380 0.76 GPR84 (0.50) SPHK1TP53OPRM1GPR84FFAR1
SCHEMBL8469417 0.74 ACE2 (0.57) SPHK1TP53OPRM1ACE2GPR84
SCHEMBL9243085 0.74 ACE2 (0.57) SPHK1TP53OPRM1ACE2GPR84

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
WO-2023094654-A1 ACETOACETATE BASED KETALS ARXADA AG (CH) 2023-06-01 WO claimed
WO-2023094654-A1 ACETOACETATE BASED KETALS ARXADA AG (CH) 2023-06-01 WO disclosed