SCHEMBL8091620

SCHEMBL8091620

COC12CCC(c3ccc(C(=O)N[CH]CCCNC=N)cc3)(CC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL8098109 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8090129 0.86 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8091625 0.85 NPC1 (0.45) ALDH1A1
SCHEMBL8091664 0.85 POLB (0.33) ALDH1A1
SCHEMBL8095325 0.84 POLB (0.33) ALDH1A1
SCHEMBL8090147 0.84 SIGMAR1 (0.30)
Hydrochloric Acid SCHEMBL7449235 0.81
SCHEMBL8091597 0.81 SPHK1 (0.34)
SCHEMBL8090102 0.79 F2 (0.37) ALDH1A1
SCHEMBL8091494 0.76 SPHK1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed