SCHEMBL9257903

SCHEMBL9257903

CCCCCCC(CCC=O)CCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 2/20 0.52
LMNA P02545 1/20 0.48
ADH1B P00325 2/20 0.45
ADH1C P00326 2/20 0.45
ADH1A P07327 2/20 0.45
ADH4 P08319 2/20 0.45
ADH7 P40394 2/20 0.45
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
FFAR1 O14842 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
SCHEMBL22465773 1.00 TSHR (0.58) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL19759291 1.00 TSHR (0.58) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL29003474 0.96 TSHR (0.54) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL29008643 0.96 TSHR (0.54) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL9266182 0.96 TSHR (0.54) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL9257092 0.91 TSHR (0.54) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL11687766 0.91 TSHR (0.54) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL1035441 0.91 TSHR (0.65) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL22602593 0.91 TSHR (0.73) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL25907690 0.91 TSHR (0.65) TSHRFAAHTRPV1LMNAADH1B

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