SCHEMBL11871017

SCHEMBL11871017

CCO[Si](CCCSC(=S)NC1CCCCC1)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
APOBEC3G Q9HC16 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX1 P07099 4/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10458311 0.78 KMT2A (0.63) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL11866891 0.76 L3MBTL1 (0.37) HTTLMNAKMT2AHPGD
SCHEMBL10178857 0.75 EPHX1 (0.37) ALDH1A1EPHX1KDM4E
SCHEMBL11867195 0.75 GAA (0.36) LMNAMEN1KMT2AALDH1A1NPC1
SCHEMBL10179036 0.74 PDK1 (0.39) ALDH1A1EPHX1KDM4E
SCHEMBL3851050 0.73
SCHEMBL26992752 0.73 KEAP1 (0.42)
SCHEMBL4338931 0.72
SCHEMBL1147204 0.72 SIGMAR1 (0.60) MEN1KMT2AALDH1A1EPHX1KDM4E
SCHEMBL11792245 0.71

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
US-3957718-A Compositions containing silica, a phenoplast or an aminoplast, and a silane DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-05-18 US disclosed