SCHEMBL3416013

SCHEMBL3416013

CCC1(C(=O)O)C2CCC(O2)C1Cc1cc(F)ccc1C=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.32
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL250295 0.70 LMNA (0.43)
SCHEMBL250296 0.70 LMNA (0.43)
SCHEMBL4139935 0.64 ALDH1A1 (0.43)
SCHEMBL19791018 0.63
SCHEMBL19584807 0.60 ALDH1A1 (0.40)
SCHEMBL8893372 0.59 RIPK1 (0.38) DPP4DPP7
SCHEMBL20766934 0.58 ICMT (0.44)
SCHEMBL25538037 0.58 SRC (0.44)
SCHEMBL31021773 0.58 ALDH1A1 (0.40)
SCHEMBL28903495 0.57 ALDH1A1 (0.39)

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-2012003477-A2 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN, INC. (US) 2012-01-05 WO disclosed