SCHEMBL27979420

SCHEMBL27979420

CCCCC1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.58
▸ ALDH1A1 P00352 8/20 0.58
▸ LMNA P02545 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 2/20 0.43
▸ NR1H2 P55055 2/20 0.43
▸ NR1H3 Q13133 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD11B1 P28845 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ SIRT6 Q8N6T7 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
SCHEMBL16569974 0.90 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL17645014 0.88 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL16569609 0.88 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18186345 0.88 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18186373 0.86 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18186372 0.86 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18186381 0.86 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL27979284 0.85 NR1H2 (0.46) MAPTALDH1A1LMNANR1H2NR1H3
SCHEMBL17958739 0.82 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL17630358 0.82 MAPT (0.67) 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
CN-103998444-A Adhesive agent CANCER THERAPEUTICS CRC PTY LTD 2014-08-20 — — CN disclosed
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