SCHEMBL7960001

SCHEMBL7960001

COC(=O)c1cccc(CC2CCCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.78
PTGER4 P35408 5/20 0.78
PTGER1 P34995 1/20 0.78
PTGER3 P43115 1/20 0.64
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPM1D O15297 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL7964171 0.94 PTGIR (0.73) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7964177 0.91 PTGIR (0.68) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7960399 0.90 PTGIR (0.94) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7961736 0.90 PTGIR (0.93) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7961741 0.90 PTGIR (0.93) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7952704 0.89 PTGIR (0.82) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7949540 0.88 PTGER4 (0.69) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7960055 0.88 PTGIR (1.00) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL1626140 0.88 PTGIR (1.00) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL4576000 0.88 PTGIR (1.00) 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 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