SCHEMBL7598223

SCHEMBL7598223

CCCC(CC)C(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.34
METAP1 P53582 1/20 0.32
CTSK P43235 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30

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
SCHEMBL9147679 0.86 TSHR (0.52) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL5365130 0.84
SCHEMBL6543947 0.75 ALDH1A1 (0.32) TSHRSMN1; SMN2
SCHEMBL11939964 0.74
SCHEMBL1410409 0.74
SCHEMBL4756088 0.74
SCHEMBL18967347 0.73 ADH1B (0.47) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL21807482 0.72 TSHR (0.41) TSHRSMN1; SMN2LMNAMETAP1
SCHEMBL28853381 0.71 ADH1B (0.50) TSHRSMN1; SMN2LMNAADH1BADH1C
SCHEMBL1404786 0.71 LMNA (0.48) TSHRLMNAMETAP1

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 11 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
EP-2277504-A1 Substituted tetracycline compounds for the treatment of malaria Paratek Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
EP-0492847-B2 Air curing polymer composition ROHM & HAAS (US) 2002-11-20 EP disclosed
CN-1031138-C Air-curing polymer composition ROHM & HAAS (US) 1996-02-28 CN 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
CN-1062543-A The polymer composition of air curing ROHM & HAAS (US) 1992-07-08 CN 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