SCHEMBL7653284

SCHEMBL7653284

O=C(O)CCC(C(=O)O)N(c1c[nH]c2ccccc12)[PH](=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL7653130 0.86 PARP1 (0.34) ADAM17MEN1KMT2AALDH1A1NPC1
SCHEMBL3380603 0.77 CPA3 (0.41) ALDH1A1KDM4EPOLBTSHRHPGD
SCHEMBL7650841 0.75 CCKBR (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL7644687 0.71 HDAC1 (0.38) ALDH1A1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL7654118 0.71 HDAC3 (0.48) ADAM17MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1307547 0.70 HDAC3 (0.67) ADAM17MEN1KMT2AALDH1A1TDP1
SCHEMBL4861487 0.70 LMNA (0.47) ADAM17MEN1KMT2AALDH1A1NPC1
SCHEMBL7648560 0.69 POLB (0.38) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3043847 0.69 KDM4E (0.62) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7645872 0.69 BCHE (0.36) ALDH1A1KDM4EPOLBTSHRHPGD

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