SCHEMBL546774

SCHEMBL546774

CCO[Si](CCC(C)Oc1ccc(N2CCCC2=O)cc1)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
LIPE Q05469 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL546621 0.97 USP2 (0.39) ALDH1A1HPGDUSP2LMNAHTT
SCHEMBL547076 0.96 USP2 (0.39) ALDH1A1HPGDUSP2LMNALIPE
SCHEMBL546821 0.88 ALDH1A1 (0.46) ALDH1A1HPGDUSP2LMNAHTT
SCHEMBL546569 0.85 F10 (0.42) ALDH1A1HPGDLMNAHTTLIPE
SCHEMBL547249 0.84 F10 (0.43) ALDH1A1HPGDLMNAHTTLIPE
SCHEMBL546164 0.80 LMNA (0.50) ALDH1A1HPGDUSP2LMNAHTT
SCHEMBL546204 0.77 LMNA (0.47) ALDH1A1USP2LMNAHTTSMN1; SMN2
SCHEMBL547065 0.76 LMNA (0.46) ALDH1A1USP2LMNAHTTSMN1; SMN2
SCHEMBL25094272 0.76 LIPE (0.53) ALDH1A1HPGDUSP2LMNAHTT
SCHEMBL6552462 0.73 LMNA (0.61) ALDH1A1HPGDUSP2LMNAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110635-B2 Method for producing conjugated diene polymer, conjugated diene polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-07 US claimed
US-20090005497-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US claimed
US-8110635-B2 Method for producing conjugated diene polymer, conjugated diene polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-07 US disclosed
US-20090005497-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed