Sugi Predict

Sugi Predict / Compounds / SCHEMBL4255369

SCHEMBL4255369

SCHEMBL4255369

C=COC(=O)NCCCN(CCCN)CCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.43
▸ ZDHHC20 Q5W0Z9 1/20 0.41
▸ ZDHHC2 Q9UIJ5 1/20 0.41
▸ SLC6A5 Q9Y345 2/20 0.39
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ ACHE P22303 12/20 0.38
▸ DNM1 Q05193 1/20 0.38

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
SCHEMBL4251056 0.85 TSHR (0.43) EPHX1ZDHHC20ZDHHC2SLC6A5ACHE
SCHEMBL4257756 0.83 ACHE (0.47) ACHE
SCHEMBL4251051 0.82 ZDHHC20 (0.64) EPHX1ZDHHC20ZDHHC2SLC6A5GNAI3
SCHEMBL4251141 0.82 EPHX1 (0.43) EPHX1GNAI3GNAO1GNAI1ACHE
SCHEMBL3746705 0.81 EPHX1 (0.63) EPHX1ZDHHC20ZDHHC2ACHE
SCHEMBL13583543 0.81 EPHX1 (0.63) EPHX1ZDHHC20ZDHHC2ACHE
SCHEMBL3663444 0.81 EPHX1 (0.63) EPHX1ZDHHC20ZDHHC2ACHE
SCHEMBL4256129 0.80 TDP1 (0.54) EPHX1GNAI3GNAO1GNAI1ACHE
SCHEMBL7966153 0.80 EPHX1 (0.60) EPHX1ZDHHC20ZDHHC2ACHE
SCHEMBL7262237 0.79 GNAI3 (0.44) EPHX1SLC6A5GNAI3GNAO1GNAI1

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-2105450-A1 Antimicrobial polymers Catalyse SARL (FR) 2009-09-30 — — EP disclosed