SCHEMBL22184048

SCHEMBL22184048

O=C=Nc1ccc(N2C(=O)C=CCC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.38
▸ FAAH O00519 5/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSP90AA1 P07900 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CCR6 P51684 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ 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
SCHEMBL42947 0.81 MGLL (0.60) MGLLFAAHCYP3A4TSHRHSP90AA1
SCHEMBL6140724 0.75 MGLL (0.45) MGLLFAAHHSP90AA1TDP1ALDH1A1
SCHEMBL8526316 0.74 MGLL (0.59) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL19749214 0.74 CYP3A4 (0.39) CYP3A4TSHRTDP1MAPK1CYP1A2
SCHEMBL26225498 0.74 MGLL (0.45) MGLLFAAHCYP3A4TSHRHSP90AA1
SCHEMBL6140673 0.70 MAPT (0.56) MGLLFAAHALDH1A1LMNAPKM
SCHEMBL7463346 0.68 CYP3A4 (0.42) MGLLCYP3A4TSHRTDP1ALDH1A1
SCHEMBL18929127 0.68 ADAM17 (0.55) —
SCHEMBL10652128 0.67 ELANE (0.55) CYP3A4TSHRTDP1MAPK1CYP1A2
SCHEMBL16656343 0.66 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPK1CYP1A2

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
US-11839699-B2 3D printed scaffolds of peptide conjugate polymer LEHIGH UNIVERSITY 2023-12-12 — — US disclosed
US-20200206384-A1 3D PRINTED SCAFFOLDS OF PEPTIDE CONJUGATE POLYMER LEHIGH UNIVERSITY 2020-07-02 — — US disclosed
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