SCHEMBL22711532

SCHEMBL22711532

O=C1/C(=C2/Nc3ccc(Br)c(Cl)c3C2=O)Nc2ccc(Br)c(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 4/20 0.47
▸ TGM2 P21980 2/20 0.32
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL10173048 1.00 CES1 (0.47) CES1TGM2HTR2AHTR2CHTR2B
SCHEMBL6177499 0.85 CES1 (0.67) CES1TGM2
SCHEMBL31103242 0.85 CES1 (0.67) CES1TGM2
SCHEMBL11921526 0.72 CES1 (0.41) CES1TGM2
SCHEMBL13683268 0.68 CES1 (0.31) CES1
SCHEMBL31620681 0.68 HTR2A (0.33) CES1HTR2AHTR2CHTR2B
SCHEMBL22645637 0.67 HTR2A (0.35) CES1HTR2AHTR2CHTR2B
SCHEMBL23209053 0.64 MAPT (0.36) CES1TGM2
SCHEMBL734955 0.64 CES1 (1.00) CES1TGM2
SCHEMBL15463646 0.63 HTR2A (0.42) HTR2AHTR2CHTR2B

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
EP-3743479-B1 LUBRICANT FOR WINTER SPORTS EQUIPMENT BASED ON INDIGOID MOLECULES BUETZER MARCEL (CH) 2022-10-26 — — EP disclosed
EP-3743479-A1 LUBRICANT FOR WINTER SPORTS APPARATUS BASED ON INDIGOID MOLECULES Bützer, Marcel (CH) 2020-12-02 — — EP disclosed
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