SCHEMBL4959490

SCHEMBL4959490

C=COC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.53
P2RY6 Q15077 8/20 0.51
P2RY2 P41231 3/20 0.51
P2RY4 P51582 1/20 0.51
DNPH1 O43598 1/20 0.47
P2RY14 Q15391 2/20 0.43
NT5E P21589 1/20 0.43

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
SCHEMBL3084985 0.86 PYGM (0.67) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL3071099 0.81 PYGM (0.55) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL3469958 0.77 DNPH1 (0.74) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL10163545 0.77 PYGM (0.61) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL9796913 0.77 DNPH1 (0.74) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL15336891 0.77 PYGM (0.61) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL28372181 0.77 DNPH1 (0.74) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL21888354 0.77 P2RY6 (0.59) PYGMP2RY6DNPH1P2RY14NT5E
SCHEMBL1172397 0.76 TYMS (0.54)
SCHEMBL31685257 0.74 DNPH1 (0.55) PYGMP2RY6P2RY2DNPH1P2RY14

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
US-7465734-B2 Methods and compositions for overcoming resistance to biologic and chemotherapy CELMED ONCOLOGY (USA), INC. (CA) 2008-12-16 US claimed