SCHEMBL2500388

SCHEMBL2500388

C=C(C)c1cccc([Si](OC(C)(C)C)(c2ccccc2)N(CC)CC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31
ALPL P05186 1/20 0.31
GLA P06280 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2500237 0.88 NPSR1 (0.30) NPSR1
SCHEMBL2502516 0.86 TSHR (0.33) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL2502277 0.80 TSHR (0.35) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL2497773 0.79 TP53 (0.34) ALDH1A1TSHRTP53TDP1
SCHEMBL2495006 0.78 ALDH1A1 (0.36) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL2500418 0.77 TSHR (0.35) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL611107 0.75 MAPT (0.33) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL29514961 0.75 MAPT (0.33) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL16033136 0.74 ACHE (0.34) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL2495908 0.74 ALDH1A1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497334-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-30 US disclosed
US-20110245407-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed