SCHEMBL22579080

SCHEMBL22579080

CCO[Si](CCCNC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)NCCC[Si](OCC)(OCC)OCC)cc3)cc2)cc1)(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 2/20 0.45

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
SCHEMBL22579084 1.00 NAMPT (0.50) NAMPTHDAC1HDAC2SMN1; SMN2NPC1
SCHEMBL21581791 0.92 EPHX1 (0.51) HDAC1HDAC2NPC1ALDH1A1RAB9A
SCHEMBL19091261 0.86 ALDH1A1 (0.56) SMN1; SMN2NPC1ALDH1A1RAB9ACYP1A2
SCHEMBL21357360 0.85 EPHX1 (0.48) HDAC1HDAC2SMN1; SMN2NPC1ALDH1A1
SCHEMBL6280635 0.85 EPHX1 (0.62) HDAC1SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL13896286 0.84 MAPT (0.46) NAMPTHDAC1HDAC2NPC1ALDH1A1
SCHEMBL17030473 0.84 KEAP1 (0.52) NAMPTALDH1A1RAB9AKDM4EGAA
SCHEMBL21958847 0.81 HDAC1 (0.44) NAMPTHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL28420696 0.81 EPHX1 (0.65) HDAC1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL3851790 0.81 EPHX1 (0.51) HDAC1HDAC2SMN1; SMN2NPC1ALDH1A1

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-3730498-B1 SILANE, RUBBER COMPOSITION CONTAINING THE SILANE AND VEHICLE TYRE, COMPRISING THE RUBBER MIXTURE IN AT LEAST ONE COMPONENT AND PROCESS FOR PRODUCING THE SILANE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-12-20 EP disclosed
EP-3730498-A1 SILANE, RUBBER COMPOSITION CONTAINING THE SILANE AND VEHICLE TYRE, COMPRISING THE RUBBER MIXTURE IN AT LEAST ONE COMPONENT AND PROCESS FOR PRODUCING THE SILANE Continental Reifen Deutschland GmbH (DE) 2020-10-28 EP disclosed