SCHEMBL9350581

SCHEMBL9350581

CC(C)Cc1ccc(CCC(=O)OC(=O)[C@@H](N)CCCCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ MMP2 P08253 1/20 0.39
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ CPB2 Q96IY4 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ CXCR1 P25024 1/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ GSR P00390 1/20 0.36

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
Lysine SCHEMBL9346943 0.81 THRB (0.60) THRBMMP2ITGB3ITGA2BCPB2
Lysine SCHEMBL11276606 0.79 THRB (0.58) THRBMMP2ITGB3ITGA2BCPB2
SCHEMBL1191631 0.77 GSR (0.53) CPB2GSR
SCHEMBL5010331 0.77 GSR (0.53) CPB2GSR
SCHEMBL27811069 0.76 TDP1 (0.51) PTGS2EPHX1ALOX5CYP4F2CYP4A11
SCHEMBL8836895 0.75 GSR (0.52) CPB2GSR
SCHEMBL8950857 0.75 GSR (0.52) CPB2GSR
Water SCHEMBL5501375 0.75 GSR (0.52) CPB2GSR
SCHEMBL8759024 0.75 GSR (0.52) THRBCPB2GSR
SCHEMBL1065054 0.75 GSR (0.52) THRBCPB2GSR

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-0253083-B1 Topical vaginal use of lysine p-isobutylphenylpropionate in antiinflammatory treatment LISAPHARMA SPA (IT) 1994-08-31 — — EP claimed
US-4755533-A Topical vaginal use of lysine p-isobutylphenylpropionate in anti-inflammatory treatment LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA SPA (IT) 1988-07-05 — — US claimed
EP-0253083-A2 Topical vaginal use of lysine p-isobutylphenylpropionate in antiinflammatory treatment LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA S.P.A. (IT) 1988-01-20 — — EP claimed
EP-0253083-B1 Topical vaginal use of lysine p-isobutylphenylpropionate in antiinflammatory treatment LISAPHARMA SPA (IT) 1994-08-31 — — EP disclosed
EP-0253083-B1 Topical vaginal use of lysine p-isobutylphenylpropionate in antiinflammatory treatment LISAPHARMA SPA (IT) 1994-08-31 — — EP disclosed
US-4755533-A Topical vaginal use of lysine p-isobutylphenylpropionate in anti-inflammatory treatment LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA SPA (IT) 1988-07-05 — — US disclosed
US-4755533-A Topical vaginal use of lysine p-isobutylphenylpropionate in anti-inflammatory treatment LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA SPA (IT) 1988-07-05 — — US disclosed
US-4755533-A Topical vaginal use of lysine p-isobutylphenylpropionate in anti-inflammatory treatment LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA SPA (IT) 1988-07-05 — — US disclosed
EP-0253083-A2 Topical vaginal use of lysine p-isobutylphenylpropionate in antiinflammatory treatment LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA S.P.A. (IT) 1988-01-20 — — EP disclosed
EP-0253083-A2 Topical vaginal use of lysine p-isobutylphenylpropionate in antiinflammatory treatment LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA S.P.A. (IT) 1988-01-20 — — EP disclosed
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