SCHEMBL9509871

SCHEMBL9509871

CCCCN(CCCC)C(=O)NCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ALDH2 P05091 1/20 0.45
FAAH O00519 1/20 0.43
GAA P10253 2/20 0.38
CA2 P00918 1/20 0.38
EPHX1 P07099 4/20 0.37
DNM1 Q05193 2/20 0.36
MGLL Q99685 1/20 0.35
HPGD P15428 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL18868691 0.94 FAAH (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL75710 0.91 FAAH (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL9403702 0.91 FAAH (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL965270 0.91 CA12 (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL13778398 0.86 CA12 (0.46) CA12CA1CA9MMP1MMP2
SCHEMBL8951841 0.85 FAAH (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL18531295 0.84 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL6835933 0.84 EPHX1 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL22574055 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL3966082 0.84 MGLL (0.47) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027537-C Improvements in or relating to carbemate derivatives LILLY CO ELI (US) 1995-02-01 CN disclosed
EP-0296864-B1 PROCESS FOR PREPARING UREAS DOWELANCO (US) 1993-09-15 EP disclosed
US-4987233-A Process for preparing herbicidal ureas and insecticidal carbamates and carbamate derivatives ELI LILLY AND COMPANY (US) 1991-01-22 US disclosed
CN-1030233-A The improved method of preparation carbamate derivatives LILLY CO ELI (US) 1989-01-11 CN disclosed
EP-0296864-A2 Process for preparing ureas DOWELANCO (US) 1988-12-28 EP disclosed
US-4268643-A ENDCAPPING BY ETHERIFICATION OR ESTERIFICATION SOCIETA ITALIANA RESINE S.I.R. S.P.A. (IT) 1981-05-19 US disclosed