SCHEMBL27931437

SCHEMBL27931437

CC(=O)OC(=O)c1ccccc1C(=O)OC(C)=O.[KH].[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 9/20 0.50
▸ ITGB1 P05556 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ HSD17B10 Q99714 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ HMGB1 P09429 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ GGT1 P19440 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL30084385 0.98 TSHR (0.52) TSHRITGB1ITGA5ALDH1A1HSD17B10
SCHEMBL2778 0.98 TSHR (0.52) TSHRITGB1ITGA5ALDH1A1HSD17B10
SCHEMBL6383298 0.95 TSHR (0.50) TSHRITGB1ITGA5ALDH1A1HSD17B10
SCHEMBL1896602 0.95 TSHR (0.50) TSHRITGB1ITGA5ALDH1A1HSD17B10
Acetone SCHEMBL29281281 0.95 TSHR (0.50) TSHRITGB1ITGA5ALDH1A1HSD17B10
SCHEMBL28206063 0.95 TSHR (0.50) TSHRITGB1ITGA5ALDH1A1HSD17B10
Acetic Acid SCHEMBL28536661 0.93 TSHR (0.48) TSHRITGB1ITGA5ALDH1A1HSD17B10
SCHEMBL5006514 0.91 TSHR (0.47) TSHRITGB1ITGA5ALDH1A1HSD17B10
SCHEMBL154741 0.89 ALDH1A1 (0.58) TSHRITGB1ITGA5ALDH1A1HSD17B10
Phosphoric Acid SCHEMBL28487093 0.89 TSHR (0.46) TSHRITGB1ITGA5ALDH1A1HSD17B10

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-203164120-U Microfluidic time-resolved fluoroimmune assay device BEIJING BOHUI INNOVATION TECHNOLOGY CO LTD 2013-08-28 — — CN disclosed
CN-103207169-A Microfluidic time-resolved fluorescence immunoassay device and application thereof BEIJING BOHUI INNOVATION TECHNOLOGY CO LTD 2013-07-17 — — CN disclosed
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