SCHEMBL8091474

SCHEMBL8091474

COC12CCC(c3ccc(CC(=O)NCCCCNC(=N)N)cc3)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8091469 0.88 ADRA1D (0.33) ADRA1DADRA1AHPGDL3MBTL1KDM4E
SCHEMBL8090137 0.84 NPC1 (0.45) HPGDL3MBTL1RAB9AKMT2A
SCHEMBL8090106 0.84 ITGB3 (0.37) ADRA1DADRA1AKMT2A
SCHEMBL8090129 0.77 ALDH1A1 (0.34) RAB9A
SCHEMBL8091473 0.76
SCHEMBL8083536 0.75 F2 (0.39) RAB9A
SCHEMBL8083538 0.75 F2 (0.39) RAB9A
SCHEMBL8091412 0.75 ALDH1A1 (0.34)
SCHEMBL9248972 0.74 CA2 (0.42) HPGDKDM4ELMNA
SCHEMBL8095297 0.74 F2 (0.40) RAB9ALMNA

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