SCHEMBL7087370

SCHEMBL7087370

CC(C)(C)[C@H]1NC(=O)[C@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
PSEN1 P49768 4/20 0.43
PSEN2 P49810 4/20 0.43
APH1B Q8WW43 4/20 0.43
NCSTN Q92542 4/20 0.43
APH1A Q96BI3 4/20 0.43
PSENEN Q9NZ42 4/20 0.43
IDO1 P14902 3/20 0.38
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
ELANE P08246 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PPARG P37231 1/20 0.36
RIN1 Q13671 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL4031186 1.00 BCHE (0.51) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4031189 1.00 BCHE (0.51) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4179882 0.88 BCHE (0.49) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4179879 0.88 BCHE (0.49) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4179875 0.88 BCHE (0.49) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL23995897 0.75 BCHE (0.62) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL17925924 0.75 BCHE (0.62) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4182846 0.73 BCHE (0.59) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4175659 0.72 BCHE (0.51) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL21944472 0.71 BCHE (0.53) BCHEACHEPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6537988-B2 Imidazole-1h-1,4-benzodiazepine derivatives along with antiproliferative cytotoxic and cytostatic agents BRISTOL-MYERS SQUIBB COMPANY 2003-03-25 US disclosed
EP-1251846-A4 C-4 CARBONATE TAXANES BRISTOL MYERS SQUIBB CO (US) 2003-03-12 EP disclosed
EP-1272193-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Bristol-Myers Squibb Company (US) 2003-01-08 EP disclosed
EP-1251846-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-30 EP disclosed
WO-2001072721-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2001-10-04 WO disclosed
WO-2001056565-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-09 WO disclosed