SCHEMBL14948666

SCHEMBL14948666

CCN(CCOC(C)=O)c1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 4/20 0.55
CYP3A4 P08684 4/20 0.55
GFER P55789 2/20 0.55
PSMD14 O00487 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAOA P21397 3/20 0.50
CYP2D6 P10635 3/20 0.50
HTR3A P46098 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.45
ESRRG P62508 1/20 0.45
CHRM2 P08172 2/20 0.41
KCNH2 Q12809 2/20 0.41
CHRM3 P20309 1/20 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
SCHEMBL11980056 0.92 PHLPP2 (0.49) ALDH1A1TSHRCYP3A4GFERPSMD14
Hydrochloric Acid SCHEMBL7470220 0.90 BLM (0.48) ALDH1A1TSHRCYP3A4GFERPSMD14
SCHEMBL19903970 0.85 TSHR (0.49) ALDH1A1TSHRCYP3A4GFERPSMD14
SCHEMBL5691122 0.84 MEN1 (0.48) ALDH1A1TSHRCYP3A4CYP2D6CHRM2
SCHEMBL5689109 0.83 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4GFERMAPK1
SCHEMBL19904030 0.82 TSHR (0.49) ALDH1A1TSHRCYP3A4GFERPSMD14
SCHEMBL25623398 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4GFERPSMD14
SCHEMBL6553839 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCYP3A4MAOACYP2D6
SCHEMBL16090967 0.80 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4GFERPSMD14
SCHEMBL7845708 0.80 ATM (0.53) ALDH1A1TSHRCYP3A4MAPK1RECQL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515842-B1 DYEING COMPOSITION COMPRISING A POLYCONDENSATE OF ETHYLENE OXIDE AND PROPYLENE OXIDE OREAL (FR) 2020-04-29 EP disclosed
WO-2013071192-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071191-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071194-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071196-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed