SCHEMBL17011250

SCHEMBL17011250

CC(C(=O)O)C(CC(=O)NCCNCCN)C(=O)NCCNCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.39
▸ GABRR1 P24046 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ HPGD P15428 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
SCHEMBL16328894 0.77 ECE1 (0.37) ECE1CASP1ALDH1A1LMNATDP1
SCHEMBL30050875 0.74 OTC (0.41) ALDH1A1LMNATDP1TP53CA12
SCHEMBL10311192 0.73 LMNA (0.32) ALDH1A1LMNATDP1TP53CA12
SCHEMBL12204444 0.73 CA12 (0.46) GABRR1ALDH1A1LMNATDP1TP53
SCHEMBL13784031 0.73 CA12 (0.46) GABRR1ALDH1A1LMNATDP1TP53
SCHEMBL17170006 0.73 CA12 (0.46) GABRR1ALDH1A1LMNATDP1TP53
SCHEMBL12204449 0.71 USP2 (0.47) ALDH1A1LMNATDP1TP53CA12
SCHEMBL22929127 0.71 DPP7 (0.55) DPP7
SCHEMBL14401231 0.70 ECE1 (0.41) ECE1CASP1ALDH1A1TP53HPGD
SCHEMBL21888407 0.70 GABRR1 (0.50) GABRR1ALDH1A1TP53HPGDKMT2A

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-9109084-B1 Synthesis of polyepoxy succinic acid compounds using free radical initiators JACAM CHEMICAL COMPANY 2013, LLC (US) 2015-08-18 — — US disclosed
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