SCHEMBL7645872

SCHEMBL7645872

O=C(O)CCC(C(=O)O)N(c1ccncc1)[PH](=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
FFAR1 O14842 1/20 0.33
CPA3 P15088 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPOR P19235 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
FOLH1 Q04609 3/20 0.30
GAA P10253 1/20 0.30
TBXAS1 P24557 1/20 0.30
TET2 Q6N021 3/20 0.30
KDM4A O75164 2/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
TET3 O43151 1/20 0.30

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 0.87 CPA3 (0.41) MMP13CPA3ALDH1A1CYP1A2CYP2C19
SCHEMBL7645503 0.84 TBXAS1 (0.40) FFAR1TSHRGAATBXAS1NAPRT
SCHEMBL7644468 0.79 SLC1A3 (0.33) CPA3ALDH1A1EPORKDM4ETP53
SCHEMBL7644687 0.77 HDAC1 (0.38) FFAR1CPA3ALDH1A1EPORTSHR
SCHEMBL7648560 0.75 POLB (0.38) FFAR1CPA3ALDH1A1CYP1A2CYP2C19
SCHEMBL7655136 0.71 CYP2D6 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL3380508 0.70 CPA3 (0.46) FFAR1CPA3ALDH1A1CYP1A2CYP2C19
SCHEMBL3380552 0.69 HDAC1 (0.49) FFAR1CPA3FOLH1KDM4AKDM4C
SCHEMBL7653284 0.69 ADAM17 (0.45) ALDH1A1TSHRKDM4EPOLBHPGD
SCHEMBL7650841 0.68 CCKBR (0.41) ALDH1A1EPORTSHRGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed