SCHEMBL8091625

SCHEMBL8091625

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 6/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC10 Q969S8 5/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 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
SCHEMBL8098115 0.87 NPC1 (0.48) NPC1RAB9AALDH1A1POLBL3MBTL1
SCHEMBL8090137 0.86 NPC1 (0.45) NPC1RAB9AALDH1A1POLBL3MBTL1
SCHEMBL8091666 0.86 NPC1 (0.47) NPC1RAB9AALDH1A1POLBL3MBTL1
SCHEMBL8091620 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8095330 0.85 NPC1 (0.49) NPC1RAB9AALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL7449235 0.83
SCHEMBL8090102 0.81 F2 (0.37) RAB9AALDH1A1POLBHPGD
SCHEMBL8748105 0.78 KDM4E (0.48) ALDH1A1POLBL3MBTL1MAPK1HPGD
SCHEMBL8090129 0.76 ALDH1A1 (0.34) NPC1RAB9AALDH1A1POLBHDAC3
SCHEMBL8091500 0.75 NPC1 (0.45) NPC1RAB9AALDH1A1POLBL3MBTL1

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