SCHEMBL7253850

SCHEMBL7253850

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 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.54
▸ ALDH1A1 P00352 9/20 0.54
▸ LMNA P02545 3/20 0.54
▸ ENPP2 Q13822 3/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL6581979 0.78 ENPP2 (0.80) MAPTALDH1A1LMNAENPP2SMN1; SMN2
SCHEMBL3044836 0.75 MAPT (0.69) MAPTALDH1A1LMNAENPP2SMN1; SMN2
SCHEMBL3893386 0.73 MAPT (0.62) MAPTALDH1A1LMNAENPP2SMN1; SMN2
SCHEMBL315992 0.72 ALDH1A1 (0.69) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL7253846 0.72 HSD11B1 (0.47) MAPTALDH1A1LMNAENPP2SMN1; SMN2
SCHEMBL942925 0.71 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3147292 0.70 MAPT (0.88) MAPTALDH1A1LMNAENPP2SMN1; SMN2
SCHEMBL594206 0.70 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2550023 0.70 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL15722399 0.70 ALDH1A1 (0.69) MAPTALDH1A1LMNASMN1; SMN2HTT

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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