SCHEMBL7744722

SCHEMBL7744722

O=C(O)Cc1ccccc1OP(=O)(O)Cc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.44
NR1H4 Q96RI1 2/20 0.42
CAMK2A Q9UQM7 2/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 1/20 0.40
AKR1B1 P15121 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39

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
SCHEMBL8061507 0.83 CXCL8 (0.50) CXCL8CAMK2AKMT2ARAB9ACHRM1
SCHEMBL8064201 0.82 MMP2 (0.47) CXCL8NPC1TDP1PTGS1AKR1C3
SCHEMBL8058401 0.82 CXCL8 (0.46) CXCL8CAMK2AMEN1KMT2ANPC1
SCHEMBL8061527 0.81 MEN1 (0.45) CXCL8CAMK2AMEN1KMT2ACHRM1
SCHEMBL8046728 0.80 CXCL8 (0.46) CXCL8CAMK2ASMN1; SMN2CHRM1AKR1B1
SCHEMBL8059158 0.78 CXCL8 (0.44) CXCL8CAMK2ACHRM1AKR1B1TDP1
SCHEMBL8058590 0.77 NAPRT (0.51) CXCL8
SCHEMBL8046814 0.76 CXCL8 (0.58) CXCL8CAMK2AMEN1KMT2ACHRM1
SCHEMBL7604656 0.75 NR1H4 (0.45) CXCL8NR1H4CAMK2ACYP1A2MEN1
SCHEMBL8059150 0.75 CXCL8 (0.41) CXCL8CAMK2AMEN1KMT2ANPC1

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
JP-2002514160-A 2002-05-14 JP claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US claimed
EP-0936914-A4 1999-08-25 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed