SCHEMBL9253400

SCHEMBL9253400

CCCCCCCC(C=C=O)CC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
GPR84 Q9NQS5 6/20 0.36
FDPS P14324 3/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
DNM1 Q05193 1/20 0.34
LAP3 P28838 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL11815254 0.82
SCHEMBL27967436 0.77 ADH1B (0.44) MAPTADH1BADH1CADH1AADH4
SCHEMBL2638551 0.77 ADH1B (0.44) MAPTADH1BADH1CADH1AADH4
SCHEMBL11789799 0.77 ADH1B (0.44) MAPTADH1BADH1CADH1AADH4
SCHEMBL11787606 0.77 ADH1B (0.44) MAPTADH1BADH1CADH1AADH4
SCHEMBL1300982 0.76 TSHR (0.82) TSHRSMN1; SMN2MAPTADH1BADH1C
SCHEMBL2925112 0.76 TSHR (0.82) TSHRSMN1; SMN2MAPTADH1BADH1C
SCHEMBL2922631 0.76 TSHR (0.82) TSHRSMN1; SMN2MAPTADH1BADH1C
SCHEMBL3851169 0.76 TSHR (0.82) TSHRSMN1; SMN2MAPTADH1BADH1C
SCHEMBL1301414 0.76 TSHR (0.82) TSHRSMN1; SMN2MAPTADH1BADH1C

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
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