SCHEMBL3963674

SCHEMBL3963674

C=CCC(=O)NC[Si](OC)(OC)OC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
NQO2 P16083 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30
FAAH O00519 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
SCHEMBL17457447 0.80 TSHR (0.37) MTNR1AMTNR1BNQO2ALDH1A1LMNA
SCHEMBL3138226 0.76 TSHR (0.48) ALDH1A1TSHR
SCHEMBL28213092 0.75 KMT2A (0.44) MTNR1AMTNR1B
SCHEMBL14027913 0.74 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL28213561 0.72 CASP2 (0.44) MTNR1AMTNR1BSMN1; SMN2FAAH
SCHEMBL19753750 0.71 GFPT1 (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL457701 0.70
SCHEMBL13317345 0.70 KDM4E (0.39) MTNR1AMTNR1BALDH1A1TSHRSMN1; SMN2
SCHEMBL16610541 0.70 CYP2D6 (0.37) ALDH1A1TSHR
SCHEMBL141335 0.70 EPHX1 (0.40) ALDH1A1TSHR

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-2009033908-A2 MOISTURE CROSS-LINKABLE POLYMERS BASED ON ALPHA-HETEROATOM SUBSTITUTED SILANES WACKER CHEMIE AG (DE) 2009-03-19 WO disclosed