SCHEMBL9257086

SCHEMBL9257086

CCCCCCCCCCCCCC(CC)CC[C]=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
CA2 P00918 2/20 0.41
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
OPRM1 P35372 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1826402 0.98 ALDH1A1 (0.46) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL8538247 0.92 ALDH1A1 (0.45) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL9265819 0.92 ALDH1A1 (0.45) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL9263902 0.92 ALDH1A1 (0.45) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL23327979 0.91 LMNA (0.48) LMNAGPR84FFAR1MAPTFFAR4
SCHEMBL9257898 0.91 LMNA (0.48) LMNAGPR84FFAR1MAPTFFAR4
SCHEMBL7594469 0.91 ALDH1A1 (0.54) ALDH1A1TDP1CA2CYP3A4TSHR
SCHEMBL9265047 0.88 ALDH1A1 (0.50) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL9266176 0.88 LMNA (0.45) LMNAGPR84FFAR1MAPTFFAR4
SCHEMBL459538 0.83 LMNA (0.48) LMNAGPR84FFAR1MAPT

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