SCHEMBL9257092

SCHEMBL9257092

CCCCCCCCCCCCCC(CC)CCC=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
CYP3A4 P08684 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.43
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH4 P08319 2/20 0.42
ADH7 P40394 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11687766 1.00 TSHR (0.54) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL1826406 0.98 TSHR (0.50) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL8538249 0.92 TSHR (0.67) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL29109640 0.92 TSHR (0.60) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL9263907 0.92 TSHR (0.67) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL9265824 0.92 TSHR (0.67) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL19759291 0.91 TSHR (0.58) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL22465773 0.91 TSHR (0.58) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL9257903 0.91 TSHR (0.58) TSHRFAAHTRPV1CYP3A4L3MBTL1
SCHEMBL2958422 0.91 CYP3A4 (0.53) TSHRFAAHTRPV1CYP3A4L3MBTL1

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