SCHEMBL7645583

SCHEMBL7645583

CCCC(c1ccc2ccccc2c1)N(C(CCC(=O)O)C(=O)O)[PH](=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
UTS2R Q9UKP6 3/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
CCKBR P32239 1/20 0.36
CYP1A2 P05177 1/20 0.34
MMP9 P14780 1/20 0.34
EPOR P19235 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL7643175 0.73 UTS2R (0.41) HDAC1HDAC8UTS2RCYP1A2CYSLTR2
SCHEMBL28936618 0.69 HDAC1 (0.49) PPARGPPARAHDAC1HDAC8AKR1C3
SCHEMBL11701561 0.69 PPARG (0.57) PPARGPPARAHDAC1UTS2RAKR1C3
SCHEMBL7645575 0.68 CYP1A2 (0.55) HDAC1HDAC8CYP1A2CYSLTR2CYSLTR1
SCHEMBL6503796 0.67 HDAC1 (0.65) HDAC1HDAC8CYP1A2
SCHEMBL7677415 0.66 HDAC1 (0.49) HDAC1HDAC8CYP1A2CYSLTR2CYSLTR1
SCHEMBL7450034 0.66 HDAC1 (0.49) HDAC1HDAC8UTS2RCYP1A2
SCHEMBL5053268 0.66 FOLH1 (0.47) PPARGPPARA
SCHEMBL7618200 0.65 CPA3 (0.47) PPARGPPARAHDAC1HDAC8CYP1A2
SCHEMBL5054448 0.65 PPARG (0.50) PPARGPPARAHDAC1HDAC8UTS2R

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-6372726-B1 ADMINISTERING CARBOXYALKYL PHOSPHONATE, PHOSPHORAMIDATE, OR PHOSPHINE OXIDE DERIVATIVE AS ANTITUMOR AGENT TO TREAT CANCER OF PROSTATE GLAND GUILFORD PHARMACEUTICALS INC. 2002-04-16 US disclosed