SCHEMBL7609798

SCHEMBL7609798

O=C(O)Cc1ccccc1OP(=O)(O)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.48
SRC P12931 1/20 0.44
PPARG P37231 2/20 0.42
CHRM1 P11229 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
HPGD P15428 1/20 0.38
AKR1B1 P15121 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8057000 0.81 HPGD (0.49) CXCL8HPGDRAB9A
SCHEMBL18607331 0.76 CXCL8 (0.58) CXCL8SRCCHRM1HPGDAKR1B1
SCHEMBL7744719 0.74 CNR1 (0.45) CXCL8CNR1CNR2HPGDNPC1
SCHEMBL31112715 0.74 ESR1 (0.52) CXCL8PPARGCHRM1PTGDR2HPGD
SCHEMBL20472218 0.74 CXCL8 (0.60) CXCL8CHRM1AKR1B1FABP4FABP5
SCHEMBL7746892 0.72 SMN1; SMN2 (0.45) CXCL8CHRM1HPGDFABP4FABP5
SCHEMBL8046814 0.72 CXCL8 (0.58) CXCL8CHRM1AKR1B1FABP4FABP5
SCHEMBL8061507 0.71 CXCL8 (0.50) CXCL8CHRM1AKR1B1FABP4FABP5
Cyclohexanol SCHEMBL27805234 0.70 GAA (0.51) CXCL8HPGD
SCHEMBL8046728 0.70 CXCL8 (0.46) CXCL8CHRM1AKR1B1FABP4FABP5

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
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed