SCHEMBL19248925

SCHEMBL19248925

CON(C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 7/20 0.42
▸ ADH1C P00326 4/20 0.42
▸ PHGDH O43175 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.33
▸ ADH1B P00325 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL14409701 0.97 — —
SCHEMBL14362737 0.94 — —
SCHEMBL25818428 0.85 — —
SCHEMBL25921656 0.76 — —
SCHEMBL1674942 0.74 ADH1A (0.39) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL5497272 0.74 ADH1A (0.39) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL14997486 0.72 HTR2A (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL9097148 0.70 ADH1A (0.41) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL27789669 0.70 ADH1A (0.36) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL23072500 0.69 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL

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
WO-2017133995-A1 METHOD FOR PRODUCING C4-C15 LACTAMS BASF SE (DE) 2017-08-10 — — WO disclosed
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