SCHEMBL9014523

SCHEMBL9014523

O=C(O)COc1cccc2c1CCC=C2CON=C(Cc1cccnc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.56
PTGDR Q13258 1/20 0.56
TBXAS1 P24557 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 1/20 0.35
NOTUM Q6P988 1/20 0.35
IDO1 P14902 1/20 0.35
CMKLR2 P46091 1/20 0.35
CMKLR1 Q99788 1/20 0.35
GPR132 Q9UNW8 1/20 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
SCHEMBL9014516 1.00 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014196 0.95 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014193 0.95 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014590 0.93 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014597 0.93 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014528 0.88 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014532 0.88 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014484 0.86 PTGIR (0.70) PTGIRPTGDRTBXAS1KMT2AALDH1A1
SCHEMBL9014475 0.86 PTGIR (0.70) PTGIRPTGDRTBXAS1KMT2AALDH1A1
SCHEMBL9014798 0.84 PTGIR (0.57) PTGIRPTGDRTBXAS1MRGPRX4

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
EP-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed