SCHEMBL14779346

SCHEMBL14779346

CCCCC(CC)COC(=O)CCCCCCCCCCC(C(=O)OCC(CC)CCCC)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ ATM Q13315 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ RECQL P46063 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ PRKCA P17252 1/20 0.43
▸ PRKCE Q02156 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ PRKCD Q05655 1/20 0.43

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
SCHEMBL14779826 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14777846 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14779294 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14779828 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14778066 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14778877 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14778429 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14777743 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL27998492 0.91 TSHR (0.71) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14809427 0.89 TSHR (0.56) TSHRCYP3A4ATMTDP1RECQL

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-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 — — US disclosed
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