SCHEMBL9739103

SCHEMBL9739103

CC1(C)OC(C)(C)C(OC(=O)c2ccccc2)=C(C(=O)c2ccc(OS(C)(=O)=O)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 3/20 0.35
CES2 O00748 1/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 3/20 0.33
MDM2 Q00987 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.32
GPR17 Q13304 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL9739629 0.88 ALDH1A1 (0.35) CA1CA2CA9ALDH1A1MAPT
SCHEMBL9738873 0.86 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL9738882 0.86 ELANE (0.33) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL10591266 0.86 MEN1 (0.32) ALDH1A1MAPK1KMT2AMEN1
SCHEMBL9738311 0.86 KMT2A (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL9874629 0.85 HPGD (0.42) ALDH1A1CES2MAPTSMN1; SMN2NPC1
SCHEMBL9739114 0.71 HPD (0.38) ALDH1A1MAPTMAPK1SMN1; SMN2KMT2A
SCHEMBL9740555 0.70 AKR1C3 (0.45) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL9874689 0.70 SMN1; SMN2 (0.41) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL9738636 0.67 FLT1 (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
EP-0336898-A2 Substituted aryl or heteroaryl diones SANDOZ AG (CH) 1989-10-11 EP disclosed