SCHEMBL20123205

SCHEMBL20123205

COOC(=O)NCCCN

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.45
EPHX1 P07099 1/20 0.44
ACHE P22303 8/20 0.39
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6995766 0.85
Hydrochloric Acid SCHEMBL31656480 0.83 EPHX1 (0.57) PAOXEPHX1ACHETDP1
SCHEMBL10244715 0.78 EPHX1 (0.63) PAOXEPHX1ACHETDP1GNAI3
SCHEMBL14041194 0.78 EPHX1 (0.57) PAOXEPHX1TSHRMAOAMAOB
SCHEMBL29206616 0.77 EPHX1 (0.67) PAOXEPHX1ACHETDP1GNAI3
SCHEMBL13037020 0.77 EPHX1 (0.67) PAOXEPHX1ACHETDP1GNAI3
SCHEMBL6661696 0.76
SCHEMBL4030364 0.75 ACHE (0.53) PAOXACHE
SCHEMBL14485 0.73 TDP1 (0.65) PAOXEPHX1TDP1MAOAMAOB
SCHEMBL766292 0.73 PAOX (0.44) PAOXEPHX1ACHEGNAI3GNAO1

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
EP-2749566-B1 SOLID-PHASE CARRIER FOR AMINATED OLIGONUCLEOTIDE AIST (JP) 2018-05-09 EP disclosed