SCHEMBL4440112

SCHEMBL4440112

CC(=O)Oc1c(C)c(Sc2ccc(-c3ncco3)cc2)n2cc(F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
IL2 P60568 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL3303558 0.81 PTGDR2 (0.50) BRD4HCRTR1HCRTR2PTGDR2P2RX7
SCHEMBL4429106 0.81 PTGDR2 (0.33) PTGDR2
SCHEMBL3303384 0.80 PTGDR2 (0.40) HCRTR1HCRTR2PTGDR2P2RX7
SCHEMBL4434317 0.77 FGFR1 (0.35) PTGDR2
SCHEMBL3042581 0.66 LTA4H (0.55) BRD4LTA4H
SCHEMBL27734876 0.65 PTGDR2 (0.36) PTGDR2
SCHEMBL3303664 0.64 PTGDR2 (0.51) PTGDR2
SCHEMBL3302244 0.64 PTGDR2 (0.51) PTGDR2
SCHEMBL12578887 0.62 LTA4H (0.55) LTA4H
SCHEMBL27734984 0.62 PTGDR2 (0.55) PTGDR2

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-2121686-A1 INDOLIZINEACETIC ACIDS AND THEIR THERAPEUTIC USE AS LIGANDS OF THE CRTH2 RECEPTOR Argenta Discovery Limited (GB) 2009-11-25 EP disclosed
WO-2008078069-A1 INDOLIZINEACETIC ACIDS AND THEIR THERAPEUTIC USE AS LIGANDS OF THE CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2008-07-03 WO disclosed