SCHEMBL8044221

SCHEMBL8044221

COC(=O)c1ccccc1NC(=O)C(Sc1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 5/20 0.49
ADAM17 P78536 1/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK10 P53779 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.48
LNPEP Q9UIQ6 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL8038297 0.90 LMNA (0.55) MAPTTDP1LMNANPSR1ALDH1A1
SCHEMBL8039699 0.83 TSHR (0.58) MAPTTDP1LMNANPSR1ALDH1A1
SCHEMBL8044216 0.77 ALDH1A1 (0.57) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL2291513 0.76 KDM4E (0.69) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL10833856 0.75 SIRT2 (0.74) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL8027769 0.74 ALDH1A1 (0.53) MAPTTDP1LMNANPSR1ALDH1A1
SCHEMBL6338190 0.73 KDM4E (0.66) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL6349020 0.73 ALDH1A1 (0.60) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL4735942 0.72 HTT (0.52) MAPTTDP1LMNANPSR1ALDH1A1
SCHEMBL8037897 0.72 CTSV (0.52) LMNASMN1; SMN2L3MBTL1NPC1RAB9A

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed