SCHEMBL10532982

SCHEMBL10532982

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ THRB P10828 1/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ 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 0.33
▸ CCR2 P41597 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 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
SCHEMBL10533618 0.97 TSHR (0.39) TSHRTHRBNAAAPKMMEN1
SCHEMBL10534897 0.97 TSHR (0.44) TSHRTHRBNAAAPKMMEN1
SCHEMBL10534902 0.94 TSHR (0.48) TSHRTHRBNAAAPKMMEN1
SCHEMBL10535278 0.94 TSHR (0.48) TSHRTHRBNAAAPKMMEN1
SCHEMBL10536764 0.94 TSHR (0.42) TSHRTHRBNAAAPKMMEN1
SCHEMBL10535333 0.93 THRB (0.39) TSHRTHRBNAAA
SCHEMBL10534925 0.91 TSHR (0.46) TSHRTHRBNAAAMEN1HTT
SCHEMBL10536864 0.91 TSHR (0.51) TSHRTHRBNAAAPKMMEN1
SCHEMBL10535459 0.90 TSHR (0.47) TSHRTHRBNAAAPKMMEN1
SCHEMBL10534072 0.89 THRB (0.41) TSHRTHRBNAAA

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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