SCHEMBL9253983

SCHEMBL9253983

O=C(CN1CCCC1)OCCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SIGMAR1 Q99720 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL9246829 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1SIGMAR1
SCHEMBL9250667 0.98 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1SIGMAR1
SCHEMBL9246736 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1SIGMAR1
SCHEMBL12772769 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1SIGMAR1
SCHEMBL11593239 0.83 SIGMAR1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1SIGMAR1
SCHEMBL23870859 0.82 KMT2A (0.49) ALDH1A1KMT2AMEN1SIGMAR1CYP1A2
SCHEMBL22281964 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL64187 0.82 KDM4E (0.50) ALDH1A1KMT2AMEN1SIGMAR1CYP1A2
SCHEMBL25475302 0.82 KMT2A (0.49) ALDH1A1KMT2AMEN1SIGMAR1CYP1A2
SCHEMBL11026149 0.82 SIGMAR1 (0.50) ALDH1A1KMT2AMEN1SIGMAR1CYP1A2

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
EP-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP claimed
EP-0527427-A2 Catalysts and casting article, method, and composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-17 EP claimed
EP-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP disclosed
US-5244997-A Polyurethane MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-09-14 US disclosed
EP-0527427-A2 Catalysts and casting article, method, and composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-17 EP disclosed