SCHEMBL7026663

SCHEMBL7026663

CCCCC1COCCN1CCCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR5 Q9H228 3/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PDK1 Q15118 4/20 0.35
S1PR4 O95977 1/20 0.34
GBA2 Q9HCG7 6/20 0.33
UGCG Q16739 3/20 0.33
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
AGL P35573 2/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
GBA1 P04062 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
SCHEMBL23712362 0.88 PDK1 (0.37) S1PR1S1PR3S1PR5POLBHPGD
SCHEMBL30481604 0.87 PDK1 (0.36) S1PR1S1PR3S1PR5PDK1S1PR4
SCHEMBL10963993 0.87 POLB (0.36) S1PR1S1PR3S1PR5POLBHPGD
SCHEMBL30481607 0.85 PDK1 (0.38) S1PR1S1PR3S1PR5POLBHPGD
SCHEMBL30481683 0.84 PDK1 (0.42) POLBHPGDNOS1NOS2PDK1
SCHEMBL25966798 0.84 PDK1 (0.46) PDK1GBA2UGCGMGAMGAA
SCHEMBL824959 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5PDK1S1PR4
SCHEMBL22026830 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5PDK1S1PR4
SCHEMBL20298897 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5PDK1S1PR4
SCHEMBL824956 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5PDK1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2024063100-A1 METHOD FOR PRODUCING POLYVALENT CARBODIIMIDE B 旭化成株式会社 2024-03-28 WO disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-0789062-B1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL IND LTD (JP) 2003-01-22 EP disclosed
US-5994421-A CROSSLINKING SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0789062-A1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-13 EP disclosed