SCHEMBL4013089

SCHEMBL4013089

O=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OCCc2ccccc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.55
DNMT3A Q9Y6K1 1/20 0.50
AKR1C3 P42330 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
NLRP3 Q96P20 3/20 0.46
SNCA P37840 1/20 0.46
PTGER2 P43116 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1153928 0.89 AKR1C3 (0.52) PTGER4DNMT3AAKR1C3MAPTLMNA
SCHEMBL1154066 0.86 AKR1C3 (0.55) PTGER4DNMT3AAKR1C3MAPTLMNA
SCHEMBL4014975 0.82 PTGER4 (0.60) PTGER4AKR1C3LMNANPC1RAB9A
SCHEMBL1154387 0.82 DNMT3A (0.55) PTGER4DNMT3AAKR1C3NPC1RAB9A
SCHEMBL691790 0.81 PTGER4 (0.66) PTGER4LMNAPTGER2
SCHEMBL15541938 0.81 PTGER4 (0.81) PTGER4DNMT3ALMNAHDAC1HDAC6
SCHEMBL4014415 0.81 PTGER4 (0.64) PTGER4AKR1C3MAPTLMNANPC1
SCHEMBL1153664 0.81 PTGER4 (0.59) PTGER4DNMT3AAKR1C3MAPTLMNA
SCHEMBL1154190 0.81 DNMT3A (0.52) PTGER4DNMT3AAKR1C3MAPTLMNA
SCHEMBL1154062 0.81 CNR2 (0.50) PTGER4DNMT3AHDAC1HDAC6NLRP3

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
EP-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 EP disclosed