SCHEMBL4776127

SCHEMBL4776127

NC(=O)/C=C/c1ccccc1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 9/20 0.57
▸ PTGER2 P43116 8/20 0.57
▸ PTGDR Q13258 5/20 0.57
▸ TBXA2R P21731 4/20 0.57
▸ PTGER4 P35408 6/20 0.55
▸ PTGFR P43088 3/20 0.55
▸ PTGER1 P34995 3/20 0.54
▸ PTGIR P43119 2/20 0.54
▸ PTPN1 P18031 2/20 0.46
▸ PLA2G10 O15496 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ MAP3K7 O43318 1/20 0.42
▸ TAB1 Q15750 1/20 0.42

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
SCHEMBL157606 0.86 PTGER3 (0.73) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL28229070 0.83 PTGER3 (0.42) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL28288349 0.82 PTGER3 (0.56) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL27497043 0.81 PTPN1 (0.46) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL9791289 0.78 PTGER3 (0.56) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL9791294 0.78 PTGER3 (0.56) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL2328371 0.78 NFKB1 (0.50) PTPN1
SCHEMBL28354000 0.76 PTGER3 (0.53) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL29120112 0.76 PTGER3 (0.50) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL4776134 0.76 TBXAS1 (0.55) PLA2G10PLA2G2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885352-A2 COMBINATIONS COMPRISING JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS Novartis AG (US) 2008-02-13 — — EP claimed
WO-2006056399-A2 COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-01 — — WO claimed
CN-108962627-B Organic system super capacitor or capacitance battery 北京师范大学 2021-01-26 — — CN disclosed
CN-108963389-B Gelable system for lithium-air battery and preparation method and application thereof 北京师范大学 2020-11-13 — — CN disclosed
EP-1885352-A2 COMBINATIONS COMPRISING JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS Novartis AG (US) 2008-02-13 — — EP disclosed
WO-2006056399-A2 COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-01 — — WO disclosed
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