SCHEMBL24798443

SCHEMBL24798443

CC(NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ PLG P00747 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ GLP1R P43220 6/20 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
SCHEMBL19026314 0.91 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL23961617 0.86 CA12 (0.36) HRH1CA12CA1CA2CA4
SCHEMBL20402344 0.86 CA12 (0.36) HRH1CA12CA1CA2CA4
SCHEMBL23961616 0.85 NR3C1 (0.38) HRH1CA12CA1CA2CA4
SCHEMBL24898123 0.85 NR3C1 (0.38) HRH1CA12CA1CA2CA4
SCHEMBL23846023 0.85 NR3C1 (0.38) HRH1CA12CA1CA2CA4
SCHEMBL24068949 0.84 HTT (0.35) HRH1CA12CA1CA2CA4
SCHEMBL27432696 0.83 CA12 (0.35) CA12CA1CA2CA4CA9
SCHEMBL30855386 0.83 PTGS1 (0.37) HRH1
SCHEMBL19019939 0.83 PTGS1 (0.37) HRH1

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
EP-4108675-A1 PREPARATION AND USE OF IMMUNOSTIMULATORY COUPLING COMPLEX WHICH IS DELIVERED AND ACTIVATED IN TARGETED MANNER Yafei Shanghai Biolog Medicine Science & Technology Co., Ltd. (CN) 2022-12-28 — — EP disclosed
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