SCHEMBL28470418

SCHEMBL28470418

CC(C)OOC(=O)c1ccccc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KCNK3 O14649 3/20 0.43
▸ KCNK9 Q9NPC2 3/20 0.43
▸ GABRA1 P14867 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL20450034 0.81 NPC1 (0.56) TSHRALDH1A1KCNK3KCNK9GABRA1
SCHEMBL739463 0.80 TSHR (0.47) TSHRALDH1A1KCNK3KCNK9GABRA1
SCHEMBL8878921 0.79 NPC1 (0.54) TSHRALDH1A1KCNK3KCNK9NPC1
SCHEMBL15972632 0.79 ALDH1A1 (0.47) TSHRALDH1A1IRAK4LMNACA2
SCHEMBL4819311 0.79 HPGD (0.43) TSHRALDH1A1KCNK3KCNK9GABRA1
SCHEMBL254882 0.79 TSHR (0.59) TSHRALDH1A1KCNK3KCNK9LMNA
SCHEMBL245414 0.79 IRAK4 (0.47) TSHRALDH1A1KCNK3KCNK9GABRA1
SCHEMBL17394753 0.78 HCRTR1 (0.53) ALDH1A1KCNK3KCNK9LMNAKMT2A
SCHEMBL5405959 0.77 SCN1A (0.52) TSHRALDH1A1NPC1KMT2AL3MBTL1
SCHEMBL12141170 0.77 TSHR (0.44) TSHRALDH1A1KCNK3KCNK9GABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396419-A Alpha-olefin/maleic anhydride alternating copolymer and preparation method thereof 中国科学院长春应用化学研究所 2023-07-07 — — CN disclosed
CN-116284529-A Preparation method of isobutene or derivative-maleic anhydride alternating copolymer 中国科学院长春应用化学研究所 2023-06-23 — — CN disclosed
CN-111683812-A Hot-melt adhesive resin laminate and laminate 藤森工业株式会社 2020-09-18 — — CN disclosed
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