SCHEMBL7654118

SCHEMBL7654118

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
ADAM17 P78536 1/20 0.45
GPR84 Q9NQS5 2/20 0.44
FFAR1 O14842 1/20 0.44
MGAM O43451 6/20 0.43
GAA P10253 6/20 0.43

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
SCHEMBL7647520 0.84 HDAC1 (0.35) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8661431 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1307547 0.79 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7647791 0.79 CYP2C19 (0.42) GAAKDM4ECYP2D6ALDH1A1CYP1A2
SCHEMBL8459366 0.77 MGAM (0.50) MAPTMEN1KMT2APKMGPR84
SCHEMBL23292956 0.75 MGAM (0.64) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10759703 0.75 HTR2A (0.59) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1306354 0.73 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7647686 0.73 CCKBR (0.39) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10990218 0.73 GPR84 (0.59) HDAC3HDAC1HDAC2HDAC10HDAC11

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