SCHEMBL8057233

SCHEMBL8057233

CCCC(c1ccc2ccccc2c1)P(=O)(O)Oc1ccccc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CETP P11597 1/20 0.39
CXCL8 P10145 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GLA P06280 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
CFD P00746 1/20 0.35
F11 P03951 1/20 0.35
TPSB2 P20231 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL7746878 0.91 CXCL8 (0.40) PPARGPPARACETPCXCL8MEN1
SCHEMBL8059150 0.84 CXCL8 (0.41) CETPCXCL8MEN1NPC1RAB9A
SCHEMBL8046809 0.81 TDP1 (0.45) CXCL8
SCHEMBL8061543 0.79 MEN1 (0.40) PPARGPPARACXCL8MEN1NPC1
SCHEMBL7050262 0.76 PPARG (0.47) PPARGPPARACETPMTNR1AMTNR1B
SCHEMBL5054448 0.75 PPARG (0.50) PPARGPPARACETPMTNR1AMTNR1B
SCHEMBL7744718 0.74 TDP1 (0.47) CXCL8
SCHEMBL7744435 0.73 MEN1 (0.42) CXCL8MEN1NPC1RAB9AKMT2A
SCHEMBL5052957 0.72 PPARG (0.45) PPARGPPARACETPNPC1RAB9A
SCHEMBL5053268 0.72 FOLH1 (0.47) PPARGPPARA

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