SCHEMBL9872943

SCHEMBL9872943

COC(=O)c1cc(Cl)c(NC(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
HSD17B10 Q99714 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 7/20 0.54
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53

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
SCHEMBL8711005 0.92 POLB (0.60) POLBHSD17B10LMNAMAPTKDM4E
SCHEMBL8708189 0.90 POLB (0.57) POLBHSD17B10LMNAMAPTKDM4E
SCHEMBL3028929 0.84 NPC1 (0.54) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL9872897 0.81 POLB (0.49) POLBDRD2DRD4DRD3
SCHEMBL9872901 0.81 POLB (0.49) POLBDRD2DRD4DRD3
SCHEMBL9873218 0.81 POLB (0.48) POLBHSD17B10LMNAMAPTKDM4E
Imidazole SCHEMBL9873212 0.81 POLB (0.48) POLBHSD17B10LMNAMAPTKDM4E
SCHEMBL1095126 0.81 CASP3 (0.58) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL10874779 0.80 NPC1 (0.68) POLBHSD17B10LMNAMAPTKDM4E
SCHEMBL9872046 0.80 MGLL (0.55) POLBMAPTKMT2AMEN1RAB9A

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
US-5017582-A Analgesics SANDOZ LTD. (CH) 1991-05-21 US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 US disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 US disclosed