SCHEMBL8146293

SCHEMBL8146293

CC(C)(C)[Si](C)(C)OC1CC(O)(CC(=O)O)c2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 0.54

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
SCHEMBL7568908 0.88 AKR1B1 (0.41) AKR1B1
SCHEMBL27334379 0.74 AKR1B1 (0.61) AKR1B1
SCHEMBL10487554 0.70 AKR1B1 (1.00) AKR1B1
SCHEMBL10487538 0.69 AKR1B1 (1.00) AKR1B1
SCHEMBL3696812 0.67 ACHE (0.33) AKR1B1
SCHEMBL10487428 0.67 AKR1B1 (1.00) AKR1B1
SCHEMBL7573710 0.67 KIF11 (0.33)
SCHEMBL8143402 0.67 KIF11 (0.33)
SCHEMBL10487495 0.66 AKR1B1 (0.59) AKR1B1
SCHEMBL10487502 0.66 AKR1B1 (1.00) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US disclosed
US-5872118-A RELAXATION OF SKELETAL MUSCLE IN SPASTIC, HYPERTONIC AND HYPERKINETIC CONDITIONS GLAXO WELLCOME INC. (US) 1999-02-16 US disclosed