SCHEMBL11763563

SCHEMBL11763563

CN(C)C(=O)Sc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NCEH1 Q6PIU2 6/20 0.41
SIGMAR1 Q99720 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
PLK1 P53350 1/20 0.40
MAPT P10636 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL3631419 0.84 WDR5 (0.44) LMNAALDH1A1NCEH1HPGDSMN1; SMN2
SCHEMBL11761896 0.83 ALDH1A1 (0.46) LMNAALDH1A1MAPK1NPY1RNPY2R
SCHEMBL28181518 0.81 HSD17B10 (0.61) LMNAALDH1A1MAPK1NPY1RNPY2R
SCHEMBL11767248 0.81 ALDH1A1 (0.40) LMNAALDH1A1MAPK1NPY1RNPY2R
SCHEMBL11764242 0.81 ALDH1A1 (0.41) LMNAALDH1A1MAPK1NPY1RNPY2R
SCHEMBL11889215 0.80 NCEH1 (0.52) LMNAALDH1A1NCEH1HPGDSMN1; SMN2
SCHEMBL21694354 0.79 CA12 (0.53) LMNAALDH1A1NR4A1NR4A2NR4A3
SCHEMBL2467190 0.79 NCEH1 (0.54) LMNAALDH1A1NCEH1HPGDHSD17B10
SCHEMBL11763250 0.79 HPGD (0.43) LMNAALDH1A1MAPK1NPY1RNPY2R
SCHEMBL11763832 0.79 TSPO (0.42) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US claimed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed