SCHEMBL29220188

SCHEMBL29220188

C=CCC(C(=O)OC(C)C)(C(=O)OC(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KCNN4 O15554 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL3593284 0.83 KCNN4 (0.53) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL16732082 0.81 TSHR (0.46) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL10951249 0.80 ALDH1A1 (0.50) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL16732334 0.80 TSHR (0.45) TSHRHTTKMT2AMEN1SMN1; SMN2
SCHEMBL28004224 0.78 TSHR (0.44) TSHRKMT2AMEN1CYP1A2CYP2D6
SCHEMBL29220422 0.78 ALDH1A1 (0.51) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL16732220 0.77 TSHR (0.42) TSHRHTTKMT2AMEN1SMN1; SMN2
SCHEMBL29220126 0.77 ALDH1A1 (0.50) TSHRALDH1A1HTTKMT2APTPN1
SCHEMBL7715181 0.77 ALDH1A1 (0.67) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL7490885 0.75 ALDH1A1 (0.51) TSHRALDH1A1HTTKMT2AMEN1

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
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 — — CN claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 — — CN disclosed
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