SCHEMBL5373874

SCHEMBL5373874

CCCC(CC)CCCC=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.41
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
CA2 P00918 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL8349861 0.93 TSHR (0.50) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL3338091 0.91 TSHR (0.56) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL8349832 0.91 TSHR (0.55) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL8423881 0.89 TSHR (0.56) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL10897766 0.88 TSHR (0.52) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL3340866 0.88 TSHR (0.50) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL29109640 0.87 TSHR (0.60) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL5377250 0.86 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL10899748 0.86 TSHR (0.48) TSHRALDH1A1CYP3A4FAAHTRPV1
SCHEMBL17750778 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4FAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US claimed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5389626-A 3-aryloxmethyl-cephalosporin derivatives, and their medical use SANKYO COMPANY, LIMITED (JP) 1995-02-14 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed