SCHEMBL9872949

SCHEMBL9872949

COC(=O)c1cc(Cl)c(N(C=O)OCc2ccccc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 5/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
NPC1 O15118 1/20 0.42
PPARG P37231 1/20 0.42
RAB9A P51151 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HTT P42858 1/20 0.40

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
SCHEMBL9871670 0.91 ALDH1A1 (0.44) POLBKDM4EHSD17B10MEN1KMT2A
SCHEMBL9872909 0.81 DRD2 (0.46) DRD2DRD4DRD3
SCHEMBL21327080 0.75 POLB (0.58) POLBKDM4EHSD17B10MEN1KMT2A
SCHEMBL8882626 0.74 CA12 (0.48) KDM4EMEN1KMT2AGAALMNA
SCHEMBL9872943 0.73 POLB (0.71) POLBKDM4EHSD17B10MEN1KMT2A
SCHEMBL21327265 0.72 ALDH1A1 (0.56) POLBKDM4ELMNAHPGDNPC1
SCHEMBL9524235 0.72 CYP19A1 (0.48) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL7268160 0.69 SLC16A3 (0.41) POLBKDM4EMEN1KMT2AHPGD
SCHEMBL7419408 0.69 GAA (0.74) POLBKDM4EHSD17B10MEN1KMT2A
SCHEMBL1019564 0.68 HPGD (0.49) POLBKDM4EGAALMNAHPGD

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