SCHEMBL9705629

SCHEMBL9705629

Cc1ccccc1OCCCCI

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
STAT3 P40763 1/20 0.53
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
TSHR P16473 2/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
DRD3 P35462 1/20 0.49
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL15922961 0.98 ALDH1A1 (0.57) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL9808080 0.89 ALDH1A1 (0.62) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL11679951 0.85 CYP2D6 (0.61) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL1592876 0.83 TDP1 (0.60) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL7496819 0.82 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL6304558 0.82 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL13313250 0.82 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL20530525 0.80 ALDH1A1 (0.58) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL22207345 0.80 ALDH1A1 (0.58) ALDH1A1CYP2D6CYP2C19LMNAMAPT
SCHEMBL20530589 0.80 ALDH1A1 (0.58) ALDH1A1CYP2D6CYP2C19LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP disclosed
US-4794031-A POLYMERIC DIAMINES, DIHALIDE LINKING AGENTS, POLYETHERS, ACRYLIC COPOLYMERS, ENCAPPING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-27 US disclosed
US-4734458-A QUATERNIZED POLYAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-03-29 US disclosed
US-4677182-A COATINGS, ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1987-06-30 US disclosed