SCHEMBL4281886

SCHEMBL4281886

CC(=O)Oc1ccc(F)c(CCCI)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ACHE P22303 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
SCHEMBL4281884 0.87 CHRM2 (0.36) CYP4F2CYP4A11CHRM2CHRM1CHRM3
SCHEMBL4272644 0.86 CYP4F2 (0.45) CYP4F2CYP4A11LMNAKDM4ECYP3A4
SCHEMBL4274299 0.80 TDP1 (0.47) KDM4E
SCHEMBL3179219 0.80 TDP1 (0.47) KDM4E
SCHEMBL3174338 0.79 TSHR (0.48) LMNA
SCHEMBL4276832 0.79 CYP4F2 (0.37) CYP4F2CYP4A11LMNAKDM4ECYP3A4
SCHEMBL23203397 0.78 LMNA (0.48) LMNAKDM4ECYP3A4ALOX5
SCHEMBL18745359 0.76 LMNA (0.50) LMNAALOX5CHRM2CHRM1
SCHEMBL3178954 0.75 BRD4 (0.49) CYP4F2CYP4A11
SCHEMBL4275713 0.75 CYP4F2 (0.66) CYP4F2CYP4A11

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed