SCHEMBL7962846

SCHEMBL7962846

CCCCN(C[O])CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
CA2 P00918 1/20 0.32
DNM1 Q05193 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM5A P29375 1/20 0.31
MAPT P10636 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7965038 0.86 CYP1A2 (0.41) CA12CA1CA9MAPK1CYP1A2
SCHEMBL2566590 0.85 MAPK1 (0.39) CA12CA1CA9MAPK1CYP1A2
SCHEMBL1099979 0.85 MAPK1 (0.39) CA12CA1CA9MAPK1CYP1A2
SCHEMBL7927845 0.84 MAPK1 (0.37) CA12CA1CA9MAPK1CYP1A2
SCHEMBL16053553 0.83 MAPK1 (0.37) CA12CA1CA9MAPK1CYP1A2
SCHEMBL26464034 0.81 DNM1 (0.46) CA12CA1CA9MAPK1CYP1A2
SCHEMBL13309417 0.81 PLA2G1B (0.43) CA12CA1CA9MAPK1CYP1A2
SCHEMBL20892294 0.81 MAPK1 (0.41) CA12CA1CA9MAPK1CYP1A2
SCHEMBL7286455 0.80 CA12 (0.44) CA12CA1CA9CYP1A2DNM1
SCHEMBL12039736 0.79 PLA2G1B (0.38) CA12CA1CA9MAPK1CYP1A2

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