SCHEMBL7959822

SCHEMBL7959822

COC(=O)c1cccc(CC2CCC=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.54
PTGER4 P35408 5/20 0.54
PTGER1 P34995 1/20 0.54
PTGER3 P43115 1/20 0.45
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.38
GSK3B P49841 1/20 0.38
FABP4 P15090 1/20 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
SCHEMBL7961262 0.90 PTGIR (0.66) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7960388 0.85 PTGIR (0.51) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7964171 0.84 PTGIR (0.73) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7959297 0.83 PTGER4 (0.44) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7964177 0.81 PTGIR (0.68) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7961298 0.81 PTGIR (0.52) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7960001 0.80 PTGIR (0.78) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7949669 0.75 PTGIR (0.49) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7958123 0.73 PTGIR (0.89) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7949886 0.73 PTGIR (0.89) PTGIRPTGER4PTGER1PTGER3KDM4E

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
US-6245790-B1 ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS; SKN DISORDERS; BONE DISORDERS; MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
WO-2000016760-A2 NEW USE OF PROSTAGLANDIN E2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-30 WO disclosed