SCHEMBL17849498

SCHEMBL17849498

CC[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)[C@@H](C)/C=C(\Cl)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PTGS1 P23219 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ATM Q13315 2/20 0.34
GLI1 P08151 1/20 0.34
GLI2 P10070 1/20 0.34
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGLN2 Q96KS0 4/20 0.33
EGLN1 Q9GZT9 4/20 0.33

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
SCHEMBL16572623 1.00 ALDH1A1 (0.51) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL16572620 0.91 ALDH1A1 (0.56) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL16283146 0.87 ALDH1A1 (0.49) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11308182 0.82 TDP1 (0.55) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11305011 0.82 TDP1 (0.55) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11124516 0.81 ALDH1A1 (0.48) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11306516 0.79 ALDH1A1 (0.55) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11306958 0.78 TDP1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11428553 0.77 ALDH1A1 (0.52) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11145080 0.77 TDP1 (0.59) ALDH1A1TDP1PTGS1MEN1CYP2D6

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-9371273-B2 Ether-amide compounds and preparation and uses thereof RHODIA OPERATIONS (FR) 2016-06-21 US disclosed