SCHEMBL7964014

SCHEMBL7964014

CCCCN(CO)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 3/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH2 P05091 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
KDM5A P29375 2/20 0.34
CA2 P00918 2/20 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
KCNH2 Q12809 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL1880050 0.94 CA12 (0.44) CA12CA9CA1ALDH1A1SMN1; SMN2
SCHEMBL976730 0.88
SCHEMBL976758 0.88
SCHEMBL2058523 0.86 ALDH1A1 (0.43) CA12CA9CA1ALDH1A1SMN1; SMN2
SCHEMBL2058520 0.86 DNM1 (0.46) CA12CA9CA1ALDH1A1SMN1; SMN2
SCHEMBL24728724 0.83 DNM1 (0.50) CA12CA9CA1ALDH1A1SMN1; SMN2
SCHEMBL2058482 0.83
SCHEMBL2058490 0.83 DNM1 (0.50) CA12CA9CA1ALDH1A1SMN1; SMN2
SCHEMBL2058589 0.83 DNM1 (0.50) CA12CA9CA1ALDH1A1SMN1; SMN2
SCHEMBL25914547 0.83 DNM1 (0.50) CA12CA9CA1ALDH1A1SMN1; SMN2

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 7 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
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