SCHEMBL7961287

SCHEMBL7961287

COC(=O)c1ccc(C)c(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.61
PTGIR P43119 4/20 0.61
PTGER1 P34995 1/20 0.61
PTGER3 P43115 1/20 0.55
KDM4E B2RXH2 7/20 0.40
HPGD P15428 6/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 5/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
FABP4 P15090 2/20 0.35
FABP3 P05413 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL7964459 0.91 PTGER4 (0.73) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7949540 0.87 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL8551042 0.86 PTGIR (0.60) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7959932 0.85 PTGER4 (0.61) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7489516 0.85 PTGER4 (0.56) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7488841 0.85 PTGER4 (0.61) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7959805 0.85 PTGIR (0.66) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7961753 0.85 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7494436 0.84 PTGIR (0.65) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7949711 0.84 PTGIR (0.60) PTGER4PTGIRPTGER1PTGER3KDM4E

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
US-6245790-B1 ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS; SKN DISORDERS; BONE DISORDERS; MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed