SCHEMBL3814554

SCHEMBL3814554

O=C(O)C1CCC(C(=O)O)(c2ccc3ccccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.47
SLC6A4 P31645 5/20 0.47
AKR1C1 Q04828 2/20 0.44
OPRM1 P35372 1/20 0.41
AKR1C3 P42330 3/20 0.41
HDAC1 Q13547 2/20 0.41
AKR1C2 P52895 1/20 0.40

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
SCHEMBL349729 0.86 AKR1C1 (0.53) SLC6A3SLC6A4AKR1C1OPRM1AKR1C3
SCHEMBL8110644 0.83 AKR1C1 (0.59) SLC6A3SLC6A4AKR1C1OPRM1AKR1C3
SCHEMBL10477046 0.82 AKR1C1 (0.63) AKR1C1OPRM1
SCHEMBL3520383 0.81 AKR1C1 (0.62) SLC6A3SLC6A4AKR1C1HDAC1
Hydrochloric Acid SCHEMBL8347528 0.78 OPRM1 (0.45) AKR1C1OPRM1AKR1C3HDAC1AKR1C2
SCHEMBL206121 0.75 SLC6A3 (0.42) SLC6A3SLC6A4AKR1C1AKR1C3
SCHEMBL28507069 0.71 KMT2A (0.57)
SCHEMBL14790320 0.70 AKR1C3 (0.42) AKR1C1AKR1C3AKR1C2
SCHEMBL8105060 0.69 HDAC1 (0.50) SLC6A3SLC6A4AKR1C1OPRM1HDAC1
SCHEMBL7366815 0.69 HDAC1 (0.50) SLC6A3SLC6A4OPRM1HDAC1

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
US-20090074989-A1 Cellulose Ester Film, Manufacturing Method Thereof, Optical Film, Polarizing Plate and Liquid Crystal Display KONICA MINOLTA OPTO, INC. (JP) 2009-03-19 US disclosed
US-20080213512-A1 Method for manufacturing cellulose ester film, and cellulose ester film, optical film, polarizing plate and liquid crystal display device using the same KONICA MINOLTA OPTO, INC. (JP) 2008-09-04 US disclosed
US-20060233973-A1 Cellulose ester film, manufacturing method thereof, optical film, polarizing plate and liquid crystal display KONICA MINOLTA OPTO, INC. 2006-10-19 US disclosed
US-20060069192-A1 Method for manufacturing cellulose ester film, and cellulose ester film, optical film, polarizing plate and liquid crystal display device using the same KONICA MINOLTA OPTO, INC. (JP) 2006-03-30 US disclosed