SCHEMBL8362191

SCHEMBL8362191

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
AKR1B1 P15121 3/20 0.33
OPRM1 P35372 1/20 0.32
HDAC4 P56524 1/20 0.32
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
NLRP3 Q96P20 2/20 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) L3MBTL1AKR1B1OPRM1HDAC4KMT2A
SCHEMBL8365773 0.88 L3MBTL1 (0.35) L3MBTL1AKR1B1OPRM1KMT2AGAA
SCHEMBL8359379 0.85 AKR1B1 (0.33) L3MBTL1AKR1B1OPRM1KMT2AGAA
SCHEMBL8362432 0.82 AKR1B1 (0.48) AKR1B1
SCHEMBL2697131 0.79 AKR1B1 (0.42) AKR1B1OPRM1HDAC4KMT2A
SCHEMBL8361432 0.78 KMT2A (0.33) L3MBTL1AKR1B1OPRM1KMT2A
SCHEMBL7564397 0.75 AKR1B1 (0.39) AKR1B1OPRM1HDAC4KMT2A
SCHEMBL8361242 0.75 NOTUM (0.33) L3MBTL1OPRM1KMT2AGAANLRP3
SCHEMBL7571641 0.75 NLRP3 (0.41) HDAC4KMT2AGAANLRP3
SCHEMBL8361234 0.75 AKR1B1 (0.38) L3MBTL1AKR1B1OPRM1KMT2A

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-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