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SCHEMBL9744375

SCHEMBL9744375

CC(C(=O)O)N(C(=O)OC(C)(C)C)C1CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ BTK Q06187 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ EPHX1 P07099 2/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL4328796 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL647264 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL9744380 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL2712968 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
Hydrochloric Acid SCHEMBL30546580 0.98 TSHR (0.36) TSHRBTKGAAEPHX1CTSS
SCHEMBL5131640 0.98 BTK (0.36) TSHRBTKGAAKMT2A
SCHEMBL4996407 0.98 BTK (0.36) TSHRBTKGAAKMT2A
SCHEMBL3672475 0.97 BTK (0.36) TSHRBTKKMT2A
SCHEMBL2350718 0.92 KMT2A (0.34) BTKGAAKMT2A
SCHEMBL2350728 0.92 KMT2A (0.34) BTKGAAKMT2A

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
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 — — US disclosed