SCHEMBL8095045

SCHEMBL8095045

COC12CCC(c3ccc(C(=O)N[CH]CCCSc4nccn4C)cc3)(CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 4/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
HDAC1 Q13547 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
RGS12 O14924 1/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
GAA P10253 2/20 0.35
CTSZ Q9UBR2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8095050 0.86 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL8091664 0.77 POLB (0.33) ALDH1A1POLBMAPTLMNA
SCHEMBL8098109 0.76 ALDH1A1 (0.33) NPC1RAB9AALDH1A1POLBLMNA
SCHEMBL8095325 0.76 POLB (0.33) ALDH1A1POLBMAPTLMNA
SCHEMBL8091620 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8090147 0.72 SIGMAR1 (0.30)
SCHEMBL8090129 0.72 ALDH1A1 (0.34) NPC1RAB9AALDH1A1POLB
SCHEMBL8091597 0.70 SPHK1 (0.34)
SCHEMBL8095262 0.64 HDAC3 (0.32) TSHR
SCHEMBL10497672 0.63 ALPL (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A

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