SCHEMBL9258970

SCHEMBL9258970

CCCCC(C)CC(C)C[C]=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.34
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 2/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRM1 P35372 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
SCHEMBL1410326 0.89
SCHEMBL1409720 0.82 ACE2 (0.45) ACE2FDPSOPRM1
SCHEMBL2504628 0.81 DNM1 (0.43) ACE2TSHRSMN1; SMN2FDPSDNM1
SCHEMBL10938434 0.80 ACE2 (0.48) ACE2FDPSOPRM1
SCHEMBL8079439 0.80 ACE2 (0.48) ACE2FDPSOPRM1
SCHEMBL448296 0.80 ACE2 (0.48) ACE2FDPSOPRM1
SCHEMBL14336195 0.80 ACE2 (0.48) ACE2FDPSOPRM1
SCHEMBL4279140 0.76 TSHR (0.46) ACE2TSHRSMN1; SMN2FDPSDNM1
SCHEMBL4277175 0.76 OPRM1 (0.50) ACE2TSHRFDPSDNM1CA2
SCHEMBL3086101 0.75 ACE2 (0.38) ACE2TSHRSMN1; SMN2FDPSDNM1

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 5 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-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 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-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed