SCHEMBL17833305

SCHEMBL17833305

CCCNC(=O)C(=O)NCCC[SiH](C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 5/20 0.45
▸ EPHX2 P34913 1/20 0.41
▸ PAOX Q6QHF9 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ PLA2G4A P47712 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CASP2 P42575 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ ACHE P22303 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
SCHEMBL6858080 0.79 MMP1 (0.52) EPHX1EPHX2PAOXNPC1GAA
SCHEMBL17833299 0.79 EGLN1 (0.56) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL18902915 0.78 KDM4E (0.37) EPHX2PAOXSMN1; SMN2MEN1KMT2A
SCHEMBL19705840 0.76 KDM4E (0.61) PAOXSMN1; SMN2MEN1KMT2A
SCHEMBL18808374 0.76 EPHX1 (0.50) EPHX1PAOXMMP1MMP2MMP3
SCHEMBL6129741 0.74 EPHX1 (0.61) EPHX1EPHX2MMP2PLA2G2ACASP2
SCHEMBL15336996 0.74 KDM4E (0.36) EPHX1PAOXSMN1; SMN2MEN1KMT2A
SCHEMBL14822840 0.72 EPHX1 (0.55) EPHX1GAAMEN1KMT2AACHE
SCHEMBL3257790 0.72 EPHX1 (0.68) EPHX1EPHX2PLA2G2APLA2G4AMEN1
SCHEMBL6940482 0.72 MMP1 (0.46) EPHX1EPHX2PAOXNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016094199-A1 COMPOUNDS COMPRISING MODIFIED DIORGANOSILOXANE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-16 — — WO disclosed
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