SCHEMBL6456312

SCHEMBL6456312

O=C(O)CCCCCC(C(=O)O)(N1C(=O)CCC1=O)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TBXA2R P21731 1/20 0.35
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
FABP4 P15090 2/20 0.33
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
F13A1 P00488 3/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5441572 0.99 ALDH1A1 (0.35) ALDH1A1TBXA2RLMNATSHRNFKB1
Octanedioate SCHEMBL29452953 0.94 ALDH1A1 (0.35) ALDH1A1TBXA2RLMNATSHRNFKB1
SCHEMBL8818958 0.94 FABP4 (0.32) ALDH1A1TBXA2RMEN1GAAKMT2A
SCHEMBL29281340 0.84
SCHEMBL557138 0.80 TSHR (0.40) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL1943663 0.80 TSHR (0.40) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL8744936 0.79
SCHEMBL859389 0.79
SCHEMBL9008981 0.79
SCHEMBL8818609 0.76 TSHR (0.39) ALDH1A1LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545616-A1 USE OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS FOR PREVENTION AND/OR TREATMENT OF CANCER Applied Research Systems ARS Holding N.V. (AN) 2005-06-29 EP disclosed
WO-2004030697-A1 USE OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS FOR PREVENTION AND/OR TREATMENT OF CANCER APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-04-15 WO disclosed
EP-0814850-A1 CELLULAR AND SERUM PROTEIN ANCHORS FOR DIAGNOSTIC IMAGING Redcell Canada Inc. (US) 1998-01-07 EP disclosed
WO-1997025074-A2 CELLULAR AND SERUM PROTEIN ANCHORS FOR DIAGNOSTIC IMAGING REDCELL CANADA, INC. (CA) 1997-07-17 WO disclosed