SCHEMBL7962848

SCHEMBL7962848

CCCCN(CO)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

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
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
ALDH1A1 P00352 3/20 0.32
ALDH2 P05091 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM5A P29375 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7965040 0.86 CYP1A2 (0.41) CA12CA1CA9MAPK1CYP1A2
SCHEMBL2566590 0.85 MAPK1 (0.39) CA12CA1CA9MAPK1CYP1A2
SCHEMBL1099979 0.85 MAPK1 (0.39) CA12CA1CA9MAPK1CYP1A2
SCHEMBL2058578 0.84 KDM4E (0.36) CA12CA1CA9MAPK1KDM4E
SCHEMBL7927848 0.84 ALDH1A1 (0.36) CA12CA1CA9MAPK1CYP1A2
SCHEMBL16053553 0.83 MAPK1 (0.37) CA12CA1CA9MAPK1CYP1A2
SCHEMBL20892294 0.81 MAPK1 (0.41) CA12CA1CA9MAPK1CYP1A2
SCHEMBL26464034 0.81 DNM1 (0.46) CA12CA1CA9MAPK1CYP1A2
SCHEMBL13309417 0.81 PLA2G1B (0.43) CA12CA1CA9MAPK1CYP1A2
SCHEMBL976730 0.80

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