SCHEMBL9014590

SCHEMBL9014590

O=C(O)COc1cccc2c1CCC=C2CCO/N=C(\Cc1cccnc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.68
PTGDR Q13258 1/20 0.68
TBXAS1 P24557 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
NOTUM Q6P988 1/20 0.35
IDO1 P14902 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
SCHEMBL9014597 1.00 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014528 0.95 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014532 0.95 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014516 0.93 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014523 0.93 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014193 0.88 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL9014196 0.88 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4HTT
SCHEMBL4022778 0.86 PTGIR (0.84) PTGIRPTGDRTBXAS1KMT2AALDH1A1
SCHEMBL3771841 0.86 PTGIR (0.84) PTGIRPTGDRTBXAS1KMT2AALDH1A1
SCHEMBL3771846 0.86 PTGIR (0.84) PTGIRPTGDRTBXAS1KMT2AALDH1A1

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