SCHEMBL7306490

SCHEMBL7306490

CC(C)(C)ONC(=O)C1CC(CSc2ccc(Oc3ccc(Cl)cn3)cc2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRB P28702 3/20 0.39
LIPE Q05469 2/20 0.36
GRIN2B Q13224 1/20 0.35
P2RX3 P56373 9/20 0.35
SCN9A Q15858 2/20 0.33
FAAH O00519 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
FPR2 P25090 1/20 0.33
TACR3 P29371 1/20 0.33

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
SCHEMBL7301657 0.85 RXRB (0.39) RXRBLIPEGRIN2BP2RX3SCN9A
SCHEMBL7303122 0.83 ALDH1A1 (0.34)
SCHEMBL7310773 0.67 MMP1 (0.41)
SCHEMBL7303105 0.65 LIPE (0.45) LIPEP2RX3SCN9AFPR2
SCHEMBL7307841 0.63 MMP2 (0.43) LIPEP2RX3SCN9AFPR2
SCHEMBL6932786 0.62 CTSL (0.39)
SCHEMBL8424066 0.62 HPGD (0.43)
SCHEMBL8626757 0.61 OPRM1 (0.48) LIPEGRIN2BP2RX3SCN9AEGLN1
SCHEMBL5689691 0.60 LIPE (0.51) LIPEFAAH
SCHEMBL8425464 0.60 S1PR5 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed