SCHEMBL2507515

SCHEMBL2507515

C=CC(=C)[Si](OCCCC)(OCCCC)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
THRB P10828 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
SCHEMBL2503776 0.87 HPGD (0.33) TSHRHPGD
SCHEMBL551203 0.78 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL959989 0.76 ALDH1A1 (0.39) TSHRHPGDATMCYP3A4ALDH1A1
SCHEMBL28618162 0.69 ALDH1A1 (0.39) TSHRHPGDATMALDH1A1
SCHEMBL4221286 0.69 TSHR (0.40) TSHRHPGDATMCYP3A4ALDH1A1
SCHEMBL129087 0.69 TSHR (0.40) TSHRHPGDATMCYP3A4ALDH1A1
SCHEMBL1228489 0.69 TSHR (0.40) TSHRHPGDATMCYP3A4ALDH1A1
SCHEMBL6512425 0.68 TSHR (0.47) TSHRHPGDTHRB
SCHEMBL6513370 0.68 TSHR (0.47) TSHRHPGDTHRB
SCHEMBL6509487 0.68 TSHR (0.47) TSHRHPGDTHRB

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
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed