SCHEMBL820957

SCHEMBL820957

CCC(O)CC(CC)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SLC18A3 Q16572 1/20 0.35
PRKCA P17252 2/20 0.34
PDCD4 Q53EL6 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13120280 1.00 TSHR (0.37) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL1433926 0.84 TSHR (0.39) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL18932583 0.84 TSHR (0.37) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL18932575 0.84 TSHR (0.37) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL16575146 0.83 PDCD4 (0.35) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL12904345 0.83 TSHR (0.35) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL15500033 0.83 TSHR (0.40) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL16573695 0.83 TSHR (0.35) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL12563679 0.83 TSHR (0.42) TSHRLMNASMN1; SMN2MEN1CYP1A2
SCHEMBL12563680 0.81 PDCD4 (0.39) TSHRLMNASMN1; SMN2MEN1CYP1A2

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
US-20180170102-A1 SILYL GROUP-CONTAINING NOVEL COMPOUND, MODIFIED AND CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PREPARING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20110274939-A1 HYDROPHILIZING AGENT FOR ALUMINUM-CONTAINING METAL MATERIAL, HYDROPHILIZING METHOD, AND HYDROPHILIZED ALUMINUM-CONTAINING METAL MATERIAL DENSO CORPORATION (JP) 2011-11-10 US disclosed