SCHEMBL9490980

SCHEMBL9490980

CC(C)(C)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
ALDH1A1 P00352 2/20 0.73
MAPT P10636 2/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
MAPK1 P28482 3/20 0.69
LMNA P02545 2/20 0.69
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
RAB9A P51151 6/20 0.68
NPC1 O15118 4/20 0.68
ESRRG P62508 4/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
TP53 P04637 1/20 0.68
HPGD P15428 1/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
HDAC1 Q13547 3/20 0.62
HDAC3 O15379 2/20 0.62

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
SCHEMBL13315419 0.92 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13577905 0.91 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3580293 0.89 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11960439 0.88 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1233587 0.88 HDAC1 (0.81) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1884141 0.88 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5696345 0.85 RAB9A (0.68) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14615882 0.85 RAB9A (0.68) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13762068 0.85 TMEM97 (0.67) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11960450 0.84 F10 (0.62) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5191003-A Diamide compound, improved tire gripping, vibration insulation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-02 US disclosed
EP-0470776-A1 Rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-12 EP disclosed