SCHEMBL13829284

SCHEMBL13829284

O=C(O)C1CN(C(=O)C2CCCCC2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD11B1 P28845 10/20 0.49
▸ HSD11B2 P80365 3/20 0.46
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ CHRNB3 Q05901 1/20 0.42
▸ CHRNA6 Q15825 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ RECQL P46063 1/20 0.40

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
SCHEMBL16238751 0.89 PDK1 (0.54) PDK1ALDH1A1TSHRHPGDLMNA
SCHEMBL16238475 0.83 PDK1 (0.49) PDK1ALDH1A1TSHRHSD11B1HPGD
SCHEMBL3516619 0.78 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL4137922 0.78 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL27669802 0.78 PDK1 (0.66) PDK1SMN1; SMN2
SCHEMBL27024183 0.77 ALDH1A1 (0.63) ALDH1A1TSHRHSD11B1HSD11B2HPGD
SCHEMBL20827024 0.77 ALDH1A1 (0.63) ALDH1A1TSHRHSD11B1HSD11B2HPGD
SCHEMBL25501601 0.77 ALDH1A1 (0.63) ALDH1A1TSHRHSD11B1HSD11B2HPGD
SCHEMBL5245209 0.76 PDK1 (0.55) PDK1ALDH1A1HPGDLMNA
SCHEMBL12331051 0.76 TSHR (0.47) ALDH1A1TSHRHSD11B1HSD11B2HPGD

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-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 — — US disclosed
US-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 — — US disclosed
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