SCHEMBL7564635

SCHEMBL7564635

O=C(O)CC1(O)CCc2c(F)cccc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
AKR1B1 P15121 14/20 0.44
HDAC4 P56524 3/20 0.39
HSD11B1 P28845 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL8037961 0.82 AKR1B1 (0.50) AKR1B1HSD11B1
SCHEMBL9391438 0.82 AKR1B1 (0.42) KDM4CAKR1B1HDAC4NOTUM
SCHEMBL7571641 0.81 NLRP3 (0.41) KDM4CHDAC4
SCHEMBL7565508 0.79 AKR1B1 (0.50) AKR1B1HSD11B1
SCHEMBL8365772 0.77 AKR1B1 (0.43) AKR1B1
SCHEMBL24482364 0.73 HDAC4 (0.39) KDM4CHDAC4NOTUM
SCHEMBL7566064 0.71 AKR1B1 (0.62) AKR1B1HSD11B1
SCHEMBL8361398 0.71 AKR1B1 (0.48) AKR1B1
SCHEMBL8362432 0.71 AKR1B1 (0.48) AKR1B1
SCHEMBL8361281 0.71 AKR1B1 (0.48) AKR1B1HSD11B1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987248-B1 Amide derivatives and their therapeutic use WELLCOME FOUND (GB) 2002-09-04 EP disclosed
EP-0699180-B1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS WELLCOME FOUND (GB) 2000-11-22 EP disclosed
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US disclosed
EP-0987248-A1 Amide derivatives and their therapeutic use THE WELLCOME FOUNDATION LIMITED (GB) 2000-03-22 EP disclosed
US-5872118-A RELAXATION OF SKELETAL MUSCLE IN SPASTIC, HYPERTONIC AND HYPERKINETIC CONDITIONS GLAXO WELLCOME INC. (US) 1999-02-16 US disclosed
CN-1041720-C Bicyclic amide derivatives, preparation method thereof, pharmaceutical composition and pharmaceutical application thereof WELLCOME FOUND (GB) 1999-01-20 CN disclosed
CN-1125938-A Bicyclic amide derivatives and their use as muscle relaxants WELLCOME FOUND (GB) 1996-07-03 CN disclosed
EP-0699180-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-06 EP disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed