SCHEMBL6994527

SCHEMBL6994527

C[C@@H](N[C@@H](CO)[C@@H]1COC(C)(C)O1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
HCRTR2 O43614 4/20 0.35
HCRTR1 O43613 3/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ACP3 P15309 2/20 0.34
TBXA2R P21731 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6988968 1.00 SIGMAR1 (0.36) SIGMAR1HCRTR2HCRTR1LMNAHPGD
SCHEMBL1222778 1.00 SIGMAR1 (0.36) SIGMAR1HCRTR2HCRTR1LMNAHPGD
SCHEMBL1222781 1.00 SIGMAR1 (0.36) SIGMAR1HCRTR2HCRTR1LMNAHPGD
SCHEMBL3180941 0.82 L3MBTL1 (0.37) SIGMAR1HCRTR2HCRTR1LMNAHPGD
SCHEMBL6987664 0.81 SIGMAR1 (0.39) SIGMAR1HCRTR2HCRTR1TMEM97POLB
SCHEMBL6988972 0.79 SIGMAR1 (0.38) SIGMAR1HCRTR2HCRTR1HPGDGAA
SCHEMBL1634186 0.73 GAA (0.45) SIGMAR1LMNAHPGDACP3TBXA2R
SCHEMBL1634184 0.73 GAA (0.45) SIGMAR1LMNAHPGDACP3TBXA2R
SCHEMBL27837886 0.73 GAA (0.45) SIGMAR1LMNAHPGDACP3TBXA2R
SCHEMBL14366914 0.72 L3MBTL1 (0.39) SIGMAR1HCRTR2HCRTR1TBXA2RL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930312-B1 Production method of optically active amino alcohols JAPAN TOBACCO INC (JP) 2003-01-02 EP disclosed
US-6197966-B1 REACTING MESOEPOXIDE WITH AMINE TO FORM 1,3-DIOXEPANE DERIVATIVE; ACID CATALYSIS; RING CONTRACTION TO 1,3-DIOXOLANE JAPAN TOBACCO INC. (JP) 2001-03-06 US disclosed
EP-0930312-A1 Production method of optically active amino alcohols Japan Tobacco Inc. (JP) 1999-07-21 EP disclosed