SCHEMBL7858895

SCHEMBL7858895

COC(=O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.58
CTSL P07711 1/20 0.58
PTPN13 Q12923 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 1/20 0.56
KDM4C Q9H3R0 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
STAT3 P40763 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL13593266 0.89 KMT2A (0.61) ALDH1A1KDM4CKMT2AMEN1STAT3
SCHEMBL7858886 0.86 HPGD (0.57) PTPRCCTSLPTPN13ALDH1A1HTT
SCHEMBL8436122 0.86 PTPRC (0.56) PTPRCCTSLPTPN13ALDH1A1HTT
SCHEMBL2128835 0.84 ALDH1A1 (0.68) PTPRCALDH1A1HTTHPGDKDM4C
SCHEMBL1592769 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKMT2ARAB9ASMN1; SMN2
SCHEMBL3633228 0.80 SMN1; SMN2 (0.64) ALDH1A1HPGDKDM4CKMT2ASMN1; SMN2
SCHEMBL1593166 0.80 ALDH1A1 (0.63) ALDH1A1KMT2ARAB9ASMN1; SMN2STAT3
SCHEMBL7529550 0.79 KMT2A (0.56) ALDH1A1KDM4CKMT2AMEN1MAPT
SCHEMBL1592797 0.79 ALDH1A1 (0.62) ALDH1A1HPGDKMT2ARAB9ASMN1; SMN2
SCHEMBL1592920 0.79 ALDH1A1 (0.62) ALDH1A1HPGDKMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741734-B1 PHENYLBORONIC ACID COMPLEXES PROLINX INC (US) 2001-04-04 EP disclosed
US-6008406-A Phenylboronic acid complexing reagents derived from aminosalicylic acid PROLINX, INC. (US) 1999-12-28 US disclosed
US-5688928-A Phenylboronic acid complexing reagents derived from aminosalicylic acid PROLINX, INC. (US) 1997-11-18 US disclosed
US-5668258-A Phenylboronic acid complexing reagents derived from aminosalicylcic acid PROLINX, INC. (US) 1997-09-16 US disclosed
US-5668257-A Phenylboronic acid complexing reagents derived from aminolalicylic acid PROLINX, INC. (US) 1997-09-16 US disclosed
US-5648470-A Phenylboronic acid complexing reagents derived from aminosalicyclic acid PROLINX, INC. (US) 1997-07-15 US disclosed
US-5594151-A Phenylboronic acid complexing reagents derived from aminosalicylic acid PROLINX, INC. (US) 1997-01-14 US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 WO disclosed