SCHEMBL21788486

SCHEMBL21788486

NCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL15714381 0.85 HTT (0.58) HTTMEN1ALDH1A1KMT2AUSP2
SCHEMBL5854880 0.82 USP2 (0.55) HTTMEN1ALDH1A1KMT2AUSP2
SCHEMBL16298587 0.80 USP2 (0.44) HTTALDH1A1USP2CYP1A2CYP3A4
SCHEMBL16710539 0.79 HTT (0.56) HTTMEN1ALDH1A1KMT2AUSP2
SCHEMBL9927953 0.79 KDM4E (0.38) HTTALDH1A1KMT2AUSP2CYP1A2
SCHEMBL18902745 0.79 HTT (0.64) HTTMEN1ALDH1A1KMT2AUSP2
SCHEMBL29320449 0.78 HTT (0.42) HTTUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL9928005 0.78 HTT (0.39) HTTALDH1A1USP2CYP1A2CYP3A4
SCHEMBL3883091 0.78 HTT (0.61) HTTMEN1ALDH1A1KMT2AUSP2
SCHEMBL1562994 0.77 HTT (0.53) HTTMEN1ALDH1A1KMT2AUSP2

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-2020043902-A1 TEXTILE TEMPERATURE REGULATING AGENTS DEVAN CHEMICALS NV (BE) 2020-03-05 WO disclosed