SCHEMBL7648560

SCHEMBL7648560

O=C(O)CCC(C(=O)O)N(c1cccs1)[PH](=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 2/20 0.36
HPGD P15428 5/20 0.35
ALDH1A1 P00352 7/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CPA3 P15088 1/20 0.34
EPOR P19235 1/20 0.33
HSD17B10 Q99714 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3380603 0.79 CPA3 (0.41) POLBCYP2C19HPGDALDH1A1TSHR
SCHEMBL7644468 0.77 SLC1A3 (0.33) POLBHPGDALDH1A1CYP2D6CPA3
SCHEMBL7645872 0.75 BCHE (0.36) POLBCYP2C19HPGDALDH1A1TSHR
SCHEMBL7644687 0.72 HDAC1 (0.38) POLBHPGDALDH1A1TSHRCPA3
SCHEMBL7645503 0.71 TBXAS1 (0.40) TSHRKDM4EFFAR1GAA
SCHEMBL7653284 0.69 ADAM17 (0.45) POLBTDP1HPGDALDH1A1TSHR
SCHEMBL7650841 0.69 CCKBR (0.41) HPGDALDH1A1TSHREPORHSD17B10
SCHEMBL7653130 0.68 PARP1 (0.34) TDP1ALDH1A1CPA3EPORMEN1
SCHEMBL3380508 0.68 CPA3 (0.46) POLBCYP2C19HPGDALDH1A1TSHR
SCHEMBL10771734 0.66 ALDH1A1 (0.43) POLBHPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514157-A 2002-05-14 JP claimed
EP-0957924-A4 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2000-04-12 EP claimed
EP-0957924-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-24 EP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048399-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed