SCHEMBL7283045

SCHEMBL7283045

Cc1cc(COC=O)cc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL151491 0.78 SRC (0.40) SRCALDH1A1
SCHEMBL5544170 0.75 S1PR2 (0.36)
SCHEMBL15750070 0.73 MAOA (0.40) SRCL3MBTL1GAA
SCHEMBL6505673 0.73 LMNA (0.39) LMNAALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL18216627 0.73 ALDH1A1 (0.42) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL28069420 0.72 CYP1A2 (0.47) LMNAKDM4EPOLBNPC1RAB9A
SCHEMBL17304947 0.72 ALDH1A1 (0.42) SRCLMNAALDH1A1KDM4EGAA
SCHEMBL27917779 0.72 MEN1 (0.38) SRCALDH1A1KDM4EHPGDPOLB
SCHEMBL7283039 0.71 HTT (0.33) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL8854 0.71 ALDH1A1 (0.46) ALDH1A1POLB

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP claimed
EP-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP claimed
US-5736535-A 1-pyrimidinylacetamide compounds which are inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 1998-04-07 US claimed
US-5721222-A Heterocyclic ketones ZENECA LIMITED (GB) 1998-02-24 US claimed
EP-0636143-B1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-09-24 EP claimed
EP-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP claimed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP claimed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US claimed
US-5441960-A 1-pyrimidinylacetamide human leukocyte elastate inhibitors ZENECA LIMITED (GB) 1995-08-15 US claimed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP claimed
EP-0636144-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1995-02-01 EP claimed
EP-0636141-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP claimed
EP-0636143-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP claimed
WO-1993021214-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021213-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP claimed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP claimed