SCHEMBL10535459

SCHEMBL10535459

C=C(C)C(=O)OCCCC[C@H]1CC[C@H](C(=O)O[C@H]2CC[C@H]([C@H]3CC[C@H](CCCC)CC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ NAAA Q02083 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ FKBP1A P62942 1/20 0.32

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
SCHEMBL10534925 0.94 TSHR (0.46) TSHRNAAATHRBMAPTGAA
SCHEMBL10534902 0.93 TSHR (0.48) TSHRNAAATHRBMAPTGAA
SCHEMBL10535278 0.93 TSHR (0.48) TSHRNAAATHRBMAPTGAA
SCHEMBL10535835 0.92 TSHR (0.47) TSHRNAAATHRBMAPTGAA
SCHEMBL10533618 0.91 TSHR (0.39) TSHRNAAATHRBMAPTGAA
SCHEMBL10536852 0.91 TSHR (0.49) TSHRNAAATHRBMAPTGAA
SCHEMBL10533494 0.91 TSHR (0.49) TSHRNAAATHRBMAPTGAA
SCHEMBL10532982 0.90 TSHR (0.41) TSHRNAAATHRBMAPTGAA
SCHEMBL10533497 0.90 TSHR (0.49) TSHRNAAATHRBMAPTGAA
SCHEMBL10536864 0.89 TSHR (0.51) TSHRNAAATHRBMAPTGAA

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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