SCHEMBL8046728

SCHEMBL8046728

O=C(O)Cc1ccccc1OP(=O)(O)Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.46
CAMK2A Q9UQM7 2/20 0.40
CYP19A1 P11511 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CHRM1 P11229 1/20 0.39
AKR1B1 P15121 1/20 0.38
ABCB1 P08183 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
POLB P06746 1/20 0.38
CFD P00746 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 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
SCHEMBL8058590 0.86 NAPRT (0.51) CXCL8POLBALDH1A1
SCHEMBL8061507 0.85 CXCL8 (0.50) CXCL8CAMK2ACHRM1AKR1B1FABP4
SCHEMBL8058401 0.84 CXCL8 (0.46) CXCL8CAMK2ACHRM1AKR1B1HTT
SCHEMBL8064201 0.82 MMP2 (0.47) CXCL8POLBL3MBTL1ALDH1A1
SCHEMBL8061525 0.81 CXCL8 (0.45) CXCL8CAMK2AABCB1FABP4FABP5
SCHEMBL8059158 0.80 CXCL8 (0.44) CXCL8CAMK2ACHRM1AKR1B1FABP4
SCHEMBL7744722 0.80 CXCL8 (0.44) CXCL8CAMK2ACHRM1AKR1B1SMN1; SMN2
SCHEMBL7605064 0.79 KDM4E (0.46) AKR1B1CFDPLGPLAUF11
SCHEMBL8061527 0.79 MEN1 (0.45) CXCL8CAMK2ACHRM1HTTFABP4
SCHEMBL8046814 0.78 CXCL8 (0.58) CXCL8CAMK2ACHRM1AKR1B1FABP4

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-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed