SCHEMBL8083549

SCHEMBL8083549

O=P(O)(Cc1cccs1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
ANPEP P15144 2/20 0.39
LAP3 P28838 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 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
SCHEMBL8063993 0.78 CXCL8 (0.45) HPGDTDP1POLBRAB9AMEN1
SCHEMBL6978499 0.77 RAB9A (0.43) HPGDCYP2C19TRPM8TDP1POLB
SCHEMBL3836998 0.75 SRC (0.57) SRCHPGDCYP2C19TDP1CYP2C9
SCHEMBL4134981 0.75 CYP2C19 (0.47) HPGDCYP2C19TRPM8TDP1POLB
SCHEMBL5060516 0.74 CYP2C19 (0.45) HPGDCYP2C19TRPM8SLC1A3SLC1A2
SCHEMBL8083709 0.72 CYP19A1 (0.49) SRCCYP2C19TDP1CYP2C9ANPEP
SCHEMBL25374097 0.72 RAB9A (0.46) HPGDCYP2C19SLC1A3SLC1A2SLC1A1
SCHEMBL3245338 0.71 SRC (0.61) SRCCYP2C19TDP1CYP2C9ANPEP
SCHEMBL28158014 0.70 POLB (0.45) HPGDCYP2C19TDP1POLBLMNA
SCHEMBL28346201 0.70 SRC (0.50) SRCCYP2C19TDP1POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed