SCHEMBL9465796

SCHEMBL9465796

CCC/C(=C(/C)C(N)=O)N(CCC)CCC

nearest known ligand 0.39

Predicted protein targets (top 17)

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
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CTSD P07339 1/20 0.31
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 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
SCHEMBL135639 0.89 CA12 (0.42) CA12CA2CA9ALDH1A1HPGD
SCHEMBL10423554 0.89 CES1 (0.38) CA12CA2CA9ALDH1A1HPGD
SCHEMBL28127568 0.89 CA12 (0.42) CA12CA2CA9ALDH1A1HPGD
SCHEMBL8604788 0.87 CA12 (0.37) CA12CA2CA9TP53CA1
SCHEMBL2210988 0.86 LMNA (0.37) CA12CA9ALDH1A1TSHRCA1
SCHEMBL736602 0.86 LMNA (0.37) CA12CA9ALDH1A1TSHRCA1
SCHEMBL6260806 0.86 CA12 (0.40) CA12CA2CA9ALDH1A1HPGD
SCHEMBL6449814 0.85 CA12 (0.39) CA12CA2CA9ALDH1A1TSHR
SCHEMBL7103305 0.85 CA12 (0.39) CA12CA2CA9ALDH1A1TSHR
SCHEMBL8977562 0.82 CA12 (0.40) CA12CA2CA9ALDH1A1HPGD

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-5069754-A Reinforcement with amphoteric polymer MITSUI-CYANAMID, LTD. (JP) 1991-12-03 US claimed
EP-0385626-B1 Papermaking method MITSUI CYANAMID KK (JP) 1993-10-20 EP disclosed
US-5250602-A Polymer emulsion and method for preparing the same MITSUI-CYANAMID, LTD. (JP) 1993-10-05 US disclosed
US-5069721-A HIGH STRENGTH; CATIONIC POLYMER EMULSION MITSUI-CYANAMID, LTD. (JP) 1991-12-03 US disclosed
US-5069754-A Reinforcement with amphoteric polymer MITSUI-CYANAMID, LTD. (JP) 1991-12-03 US disclosed
EP-0392688-A1 Mortar concrete composition MITSUI CYANAMID LIMITED (JP) 1990-10-17 EP disclosed
EP-0385626-A1 Papermaking method MITSUI-CYANAMID, LTD. (JP) 1990-09-05 EP disclosed