SCHEMBL5699558

SCHEMBL5699558

C1=CCC([C@@H](O[C@H](C2CC=CCO2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)OC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5699559 1.00 MEN1 (0.31) MEN1KMT2A
SCHEMBL5699560 1.00 MEN1 (0.31) MEN1KMT2A
SCHEMBL16492329 0.80 MEN1 (0.35) MEN1KMT2A
SCHEMBL16492330 0.80 MEN1 (0.35) MEN1KMT2A
SCHEMBL242274 0.69 CHRM2 (0.40)
SCHEMBL4710326 0.69 CHRM2 (0.40)
SCHEMBL243982 0.69 CHRM2 (0.40)
SCHEMBL5699483 0.66 MEN1 (0.33) MEN1KMT2A
SCHEMBL3319727 0.62 CHRM2 (0.36)
SCHEMBL7977844 0.60 TSHR (0.35) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341927-B1 METHOD OF PREPARING 3-¬2-{(METHYLSULFONYL)OXY}ETHOXY|-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG IND OHIO INC (US) 2006-08-02 EP disclosed
US-6300106-B1 FORMING S-ISOMER OR R-ISOMER OF (3,6-DIHYDRO-2H-PYRAN-2-YL)-METHANOL VIA A PROCESS WHICH PRODUCES A RACEMIC MIXTURE OF INTERMEDIATE REACTION PRODUCTS, RESOLVING TO SELECTIVELY PRODUCE S ISOMER PPG INDUSTRIES OHIO, INC. 2001-10-09 US disclosed