SCHEMBL10533618

SCHEMBL10533618

C=C(C)C(=O)OCCO[C@H]1CC[C@H](C(=O)OC2CCC([C@H]3CC[C@H](CCCC)CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10532982 0.97 TSHR (0.41) TSHRNAAATHRBMAPTGAA
SCHEMBL10536764 0.97 TSHR (0.42) TSHRNAAATHRBMAPTGAA
SCHEMBL10534925 0.94 TSHR (0.46) TSHRNAAATHRBMAPTGAA
SCHEMBL10534897 0.94 TSHR (0.44) TSHRNAAATHRBMAPTGAA
SCHEMBL10535333 0.94 THRB (0.39) TSHRNAAATHRB
SCHEMBL10535459 0.91 TSHR (0.47) TSHRNAAATHRBMAPTGAA
SCHEMBL10534902 0.91 TSHR (0.48) TSHRNAAATHRBMAPTGAA
SCHEMBL10535278 0.91 TSHR (0.48) TSHRNAAATHRBMAPTGAA
SCHEMBL10533497 0.90 TSHR (0.49) TSHRNAAATHRBMAPTGAA
SCHEMBL10534072 0.90 THRB (0.41) TSHRNAAATHRB

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
WO-1989011496-A1 SIDE-CHAIN POLYMERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-30 — — WO disclosed
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