SCHEMBL7477735

SCHEMBL7477735

O=C(NCCc1ccc(O)cc1)c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.73
PTGIR P43119 4/20 0.72
PTGER1 P34995 1/20 0.72
PTGER3 P43115 1/20 0.59
PARP1 P09874 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAOA P21397 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL7475495 0.94 PTGER4 (0.78) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7844739 0.91 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7475010 0.90 PTGER4 (0.68) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7476540 0.88 PTGER4 (0.73) PTGER4PTGIRPTGER1PTGER3HDAC3
SCHEMBL7840686 0.88 PTGIR (0.74) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7486168 0.88 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7486175 0.88 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3PARP1
Hydrochloric Acid SCHEMBL7481069 0.87 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3PARP1
Hydrochloric Acid SCHEMBL7481075 0.87 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7476217 0.87 PTGIR (0.79) PTGER4PTGIRPTGER1PTGER3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6437146-B1 MESANGIAL PROLIFERATIVE GLOMERULONEPHRITIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-20 US disclosed
EP-1115712-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-18 EP disclosed
WO-2000018744-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed