SCHEMBL4556405

SCHEMBL4556405

CC(CO)CCCCCCOC(=O)OCCCCCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.40
▸ TSHR P16473 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ CYP4F2 P78329 2/20 0.32
▸ CYP4A11 Q02928 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ EPHX1 P07099 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
SCHEMBL25965494 0.82 ACHE (0.40) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL4555764 0.82 ACHE (0.40) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL9746891 0.81 ALDH1A1 (0.47) TSHRACE2NAAAGAATRPV1
Bicarbonate SCHEMBL2143440 0.81 ACE2 (0.44) TSHRACE2
SCHEMBL154437 0.80 ACHE (0.48) ACHETSHRNAAACYP4F2CYP4A11
SCHEMBL812000 0.80 TSHR (0.50) TSHRACE2TRPV1
SCHEMBL21143379 0.80 ACHE (0.48) ACHETSHRNAAACYP4F2CYP4A11
SCHEMBL22749286 0.80 TSHR (0.50) TSHRACE2TRPV1
SCHEMBL14444893 0.80 ACHE (0.48) ACHETSHRNAAACYP4F2CYP4A11
SCHEMBL152197 0.80 TSHR (0.50) TSHRACE2TRPV1

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-20090312444-A1 CAST MOLDED ARTICLE MADE OF POLYURETHANE POROUS SUBSTANCE AND METHOD FOR PRODUCING THE SAME TOYO POLYMER CO., LTD. (JP) 2009-12-17 — — US disclosed
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