SCHEMBL7374264

SCHEMBL7374264

CCCC[Si](C)(C)Oc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
STK25 O00506 1/20 0.40
BTK Q06187 1/20 0.40
ESR1 P03372 3/20 0.40
MAPT P10636 2/20 0.38
F10 P00742 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL6171008 0.86 DHPS (0.46) DHPSTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL7364951 0.84 F10 (0.40) DHPSSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL7372778 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPK1STK25
SCHEMBL6172985 0.77 DHPS (0.53) DHPSTAS1R3TAS1R1ALDH1A1MAPK11
SCHEMBL6172921 0.75 ESR1 (0.56) DHPSALDH1A1MAPK11MAPK14BTK
SCHEMBL6170574 0.70 F10 (0.41) DHPSSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL13483891 0.69 ESR1 (0.76) DHPSSMN1; SMN2BTKESR1MAPT
SCHEMBL6170923 0.69 PDE4A (0.41) DHPSSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6167952 0.67 DHPS (0.55) DHPSMAPK11MAPK14BTKESR1
SCHEMBL5221860 0.67 F10 (0.83) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT

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
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed