SCHEMBL10745474

SCHEMBL10745474

CCCN(CCC)C(=O)C(C)=CCN

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.33
CA1 P00915 2/20 0.32
GABRR1 P24046 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7098591 0.85 CA12 (0.36) CA12CA2CA9ALDH1A1HPGD
SCHEMBL10629724 0.83 LMNA (0.33) GABRR1SMN1; SMN2
SCHEMBL10423556 0.80 SLC6A5 (0.34) CA12CA2CA9ALDH1A1TSHR
SCHEMBL28205531 0.78 CA12 (0.38) CA12CA2CA9ALDH1A1HPGD
SCHEMBL7098573 0.74 CA12 (0.40) CA12CA2CA9ALDH1A1TP53
SCHEMBL3325250 0.74 GABRR1 (0.34) GABRR1
SCHEMBL135642 0.73 CA12 (0.39) CA12CA9ALDH1A1CA1GABRR1
SCHEMBL10573386 0.72 KMT2A (0.37) ALDH1A1MEN1KMT2A
SCHEMBL10575128 0.72 KMT2A (0.37) ALDH1A1MEN1KMT2A
SCHEMBL7103880 0.72 ZDHHC20 (0.38) CA12CA2CA9TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4666617-A ALKYLAMINO-ACRYLATE POLYMERS, FATTY ACID, ALKYL PHOSPHATES NIPPON KOKAN KABUSHIKI KAISHA (JP) 1987-05-19 US claimed