SCHEMBL7253846

SCHEMBL7253846

CC(C)(c1ccc(OC(C=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1ccc(OC(C=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.47
▸ SIRT6 Q8N6T7 2/20 0.46
▸ MAPT P10636 10/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ENPP2 Q13822 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRB1 P08588 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
SCHEMBL27583942 0.73 SIRT6 (0.60) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL6581979 0.72 ENPP2 (0.80) MAPTALDH1A1LMNAENPP2HTT
SCHEMBL7253850 0.72 MAPT (0.54) HSD11B1SIRT6MAPTALDH1A1LMNA
SCHEMBL15740402 0.72 ENPP2 (0.42) SIRT6MAPTLMNAHTR1AENPP2
SCHEMBL8760113 0.71 SIRT6 (0.56) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL374834 0.70 SIRT6 (0.68) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL2550023 0.70 MAPT (0.72) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL15271381 0.69 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL6151230 0.69 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL9497275 0.68 HSPB1 (0.59) MAPTALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613769-B1 Incubating samples with enzyme inhibitors, then determining complexes formed; medical diagnosis; therapy for allergies and inflammation Max-Planck-Gesellschaft zur Föderung der Wissenschaften. e.V. (DE) 2003-09-02 — — US disclosed
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