SCHEMBL720916

SCHEMBL720916

CCC(=NNC(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
MAPT P10636 6/20 0.64
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 2/20 0.64
SMN1; SMN2 Q16637 7/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 1/20 0.60
ATM Q13315 1/20 0.59
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 3/20 0.52
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9768607 0.86 TP53 (0.53) TP53MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9768608 0.86 TP53 (0.53) TP53MAPTALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL10806426 0.84 GAA (0.51) TP53MAPTALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL10806420 0.84 GAA (0.51) TP53MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL17212015 0.84 TP53 (0.71) TP53MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6640877 0.82 TP53 (0.60) TP53MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL19441458 0.82 TP53 (0.69) TP53MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9796184 0.82 KDM4E (0.55) TP53MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9796180 0.82 KDM4E (0.55) TP53MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL17453766 0.81 TP53 (1.00) TP53MAPTALDH1A1KDM4ESMN1; 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-8124578-B2 Use of dynamic mixtures for a controlled release of fragrances FIRMENICH SA (CH) 2012-02-28 US disclosed