SCHEMBL8359379

SCHEMBL8359379

CCOC(=O)CC1(O)CCc2c(Cl)cc(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.33
TLR4 O00206 4/20 0.32
SPR P35270 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PPOX P50336 1/20 0.31
GAA P10253 1/20 0.31
OPRM1 P35372 1/20 0.31
P2RX7 Q99572 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL7564435 0.88 HDAC4 (0.35) AKR1B1L3MBTL1KMT2AGAAOPRM1
SCHEMBL8365773 0.88 L3MBTL1 (0.35) AKR1B1L3MBTL1KMT2AMEN1GAA
SCHEMBL8361234 0.88 AKR1B1 (0.38) AKR1B1SPRL3MBTL1KMT2AMEN1
SCHEMBL8361242 0.88 NOTUM (0.33) SPRL3MBTL1KMT2AMEN1GAA
SCHEMBL8362191 0.85 L3MBTL1 (0.34) AKR1B1L3MBTL1KMT2AGAAOPRM1
SCHEMBL8361432 0.83 KMT2A (0.33) AKR1B1TLR4SPRL3MBTL1KMT2A
SCHEMBL8361281 0.82 AKR1B1 (0.48) AKR1B1
SCHEMBL9391452 0.80 NLRP3 (0.41) AKR1B1L3MBTL1KMT2AMEN1GAA
SCHEMBL2697131 0.79 AKR1B1 (0.42) AKR1B1KMT2AMEN1OPRM1
SCHEMBL7564397 0.75 AKR1B1 (0.39) AKR1B1KMT2AMEN1OPRM1

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-0759026-B1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE WELLCOME FOUND (GB) 1999-08-18 EP disclosed
US-5708033-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS OR ANALGESICS GLAXO WELLCOME INC. (US) 1998-01-13 US disclosed
EP-0759026-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1997-02-26 EP disclosed
WO-1995030645-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-16 WO disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed