SCHEMBL9260346

SCHEMBL9260346

CCCC(CC)C(C)CCC=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.37
FAAH O00519 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1783887 0.81 ALDH1A1 (0.48) ALDH1A1TSHRFAAHSMN1; SMN2TRPV1
SCHEMBL3028361 0.78 LMNA (0.40) TSHRLMNA
SCHEMBL1787215 0.77 ALDH1A1 (0.41) ALDH1A1TSHRFAAHSMN1; SMN2TRPV1
SCHEMBL3039463 0.75
SCHEMBL11826486 0.75 ALDH1A1 (0.39) ALDH1A1TSHRFAAHSMN1; SMN2TRPV1
SCHEMBL7094600 0.74 LMNA (0.37) TSHRLMNA
SCHEMBL598055 0.73 LMNA (0.40) TSHRLMNA
SCHEMBL1781742 0.73 TSHR (0.52) ALDH1A1TSHRFAAHSMN1; SMN2TRPV1
SCHEMBL1404786 0.72 LMNA (0.48) ALDH1A1TSHRLMNA
SCHEMBL2503665 0.72 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2LMNA

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