SCHEMBL8991598

SCHEMBL8991598

CCCCc1ccccc1/N=C/c1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL10878812 0.86 DHODH (0.54) CA1CA2CYP3A4CYP2D6CYP2C9
SCHEMBL11686280 0.81 CYP3A4 (0.52) CA2CYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL8625262 0.81 CYP3A4 (0.52) CA2CYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL7644622 0.80 CYP3A4 (0.60) CA1CA2CYP3A4CYP2D6CYP2C9
SCHEMBL9654927 0.79 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9L3MBTL1HTT
SCHEMBL11509995 0.77 KMT2A (0.52) CYP3A4CYP2D6CYP2C9SMN1; SMN2L3MBTL1
SCHEMBL28831178 0.74 PTPN1 (0.43) CYP2C9SMN1; SMN2L3MBTL1MAPTMAPK1
SCHEMBL9292137 0.73 SMN1; SMN2 (0.59) CA1CA2SMN1; SMN2PTGS2PTGS1
SCHEMBL9292140 0.73 SMN1; SMN2 (0.59) CA1CA2SMN1; SMN2PTGS2PTGS1
SCHEMBL3129364 0.73 CA2 (0.88) CA1CA2SMN1; SMN2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438248-B1 Preparation process of toner NIPPON ZEON CO (JP) 1996-07-24 — — EP disclosed
US-5217839-A Dispersion containing mixture of a polymer with a carbon nitrogen double bond and a colorant in a vinyl monomer NIPPON ZEON CO., LTD. (JP) 1993-06-08 — — US disclosed
US-5110886-A Cationic polymer having at least one heterocyclic ring NIPPON ZEON CO., LTD. (JP) 1992-05-05 — — US disclosed
EP-0441286-A1 Compatibilizing agent and polymer blend composition using the same NIPPON ZEON CO., LTD. (JP) 1991-08-14 — — EP disclosed
EP-0438248-A2 Preparation process of toner NIPPON ZEON CO., LTD. (JP) 1991-07-24 — — EP disclosed
Send feedback