SCHEMBL7964012

SCHEMBL7964012

CCCCN(C[O])CCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
KCNH2 Q12809 4/20 0.36
HRH3 Q9Y5N1 1/20 0.34
KDM5A P29375 1/20 0.34
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 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
SCHEMBL7286455 0.94 CA12 (0.44) CA12CA9CA1MEN1KMT2A
SCHEMBL5165810 0.88
SCHEMBL7296753 0.86 DNM1 (0.46) CA12CA9CA1MEN1KMT2A
SCHEMBL7965304 0.83
SCHEMBL7054533 0.83 DNM1 (0.50) CA12CA9CA1KCNH2KDM5A
SCHEMBL3480441 0.82 CA12 (0.42) CA12CA9CA1MAPTKCNH2
SCHEMBL218572 0.82 CA12 (0.42) CA12CA9CA1MAPTKCNH2
SCHEMBL219200 0.82 CA12 (0.42) CA12CA9CA1MAPTKCNH2
SCHEMBL7927964 0.81 CA12 (0.39) CA12CA9CA1MEN1KMT2A
Hydrochloric Acid SCHEMBL8540929 0.79 DNM1 (0.41) CA12CA9CA1MAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed