SCHEMBL4413679

SCHEMBL4413679

O=C(O)Cn1c(CF)c(Cc2ccccc2-c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1B1 P15121 1/20 0.39
ABCB1 P08183 2/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL1785888 0.76 PTGDR2 (0.64) PTGDR2AKR1B1
SCHEMBL4413684 0.68 ALDH1A1 (0.44) PTGDR2KDM4EMEN1POLBKMT2A
SCHEMBL1785077 0.67 PTGDR2 (0.65) PTGDR2
SCHEMBL1784687 0.67 PTGDR2 (0.68) PTGDR2
SCHEMBL11188347 0.67 L3MBTL1 (0.55) PTGDR2MEN1KMT2A
SCHEMBL3540535 0.67 SUCNR1 (0.56) PTGDR2KDM4EKMT2AAKR1B1FFAR1
SCHEMBL27520426 0.65 KDM4E (0.72) PTGDR2KDM4EGLAMEN1POLB
SCHEMBL1497158 0.65 CYP2C19 (0.53) PTGDR2KMT2AFFAR1FFAR4
SCHEMBL150053 0.65 KDM4E (1.00) PTGDR2KDM4EGLAMEN1POLB
SCHEMBL29859932 0.65 KDM4E (1.00) PTGDR2KDM4EGLAMEN1POLB

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-2009063215-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS OXAGEN LIMITED (GB) 2009-05-22 WO claimed