SCHEMBL11207897

SCHEMBL11207897

CCOC(=O)OCCN(CC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 1/20 0.41
CHRM2 P08172 2/20 0.41

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
SCHEMBL10989167 0.94 SMN1; SMN2 (0.49) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL10409302 0.88 LMNA (0.47) SMN1; SMN2LMNACYP1A2CYP2D6NPY1R
SCHEMBL11215765 0.87 EGFR (0.51) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL11148002 0.85 ATM (0.42) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL5691122 0.84 MEN1 (0.48) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
Hydrochloric Acid SCHEMBL11671229 0.84 SCN5A (0.44) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL11670329 0.83 SCN5A (0.47) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL11671240 0.83 CHRM2 (0.39) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL11671564 0.83 MAPT (0.42) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL17858617 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNACYP1A2CYP2D6MEN1

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed