SCHEMBL8200433

SCHEMBL8200433

O=C(O)CC1CC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
CPB1 P15086 2/20 0.48
TSHR P16473 1/20 0.48
PREP P48147 2/20 0.47
CTSK P43235 2/20 0.46
TLR4 O00206 1/20 0.46
EPHX1 P07099 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL18584576 0.77 CPB1 (0.57) ALDH1A1GAACPB1TSHRCTSK
SCHEMBL18904843 0.77 ALDH1A1 (0.64) NAAAALDH1A1GAACPB1TSHR
SCHEMBL18584577 0.77 CPB1 (0.57) ALDH1A1GAACPB1TSHRCTSK
SCHEMBL17207725 0.76 ALDH1A1 (0.59) NAAAALDH1A1GAACPB1TSHR
SCHEMBL425375 0.75 ALDH1A1 (0.58) NAAAALDH1A1GAACPB1TSHR
SCHEMBL13421874 0.75 ALDH1A1 (0.61) NAAAALDH1A1GAACPB1TSHR
SCHEMBL13421862 0.75 ALDH1A1 (0.61) NAAAALDH1A1GAACPB1TSHR
SCHEMBL753991 0.74 ALDH1A1 (0.57) NAAAALDH1A1GAATSHREPHX1
SCHEMBL4079431 0.74 NAAA (0.85) NAAA
SCHEMBL14286451 0.74 ALDH1A1 (0.53) NAAAALDH1A1GAACPB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2772088-B2 1998-07-02 JP claimed
EP-0413762-A4 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES 1992-01-15 EP claimed
EP-0413762-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INCORPORATED (US) 1991-02-27 EP claimed
WO-1989010961-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-11-16 WO claimed
EP-0413762-B1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN INT INC (US) 2000-07-12 EP disclosed
EP-0413762-A4 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES 1992-01-15 EP disclosed
EP-0413762-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INCORPORATED (US) 1991-02-27 EP disclosed
WO-1989010961-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-11-16 WO disclosed