SCHEMBL24520458

SCHEMBL24520458

CCCCC(C)(C)SCCCC(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.38
▸ PTGS2 P35354 6/20 0.38
▸ MGLL Q99685 4/20 0.38
▸ FAAH O00519 4/20 0.38
▸ HPGD P15428 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LPAR1 Q92633 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18786061 0.85 HPGD (0.39) PTGS1PTGS2MGLLFAAHHPGD
SCHEMBL17345175 0.82 PTGS1 (0.51) PTGS1PTGS2MGLLFAAH
SCHEMBL14877935 0.80 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHMEN1
SCHEMBL18786134 0.79 TSHR (0.40) PTGS1PTGS2MGLLFAAHHPGD
SCHEMBL18389705 0.79 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHHPGD
SCHEMBL17345169 0.77 AKT1 (0.33) PTGS1PTGS2HPGDAKT1SMN1; SMN2
SCHEMBL16120761 0.77 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHHPGD
SCHEMBL22455884 0.76 AKT1 (0.33) PTGS1PTGS2HPGDAKT1ALDH1A1
SCHEMBL21557778 0.76 AKT1 (0.32) PTGS1PTGS2AKT1
SCHEMBL12642012 0.76 PTGS1 (0.54) PTGS1PTGS2MGLLFAAHHPGD

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-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 — — EP disclosed
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