SCHEMBL22788978

SCHEMBL22788978

CNC(=O)C(CCC=O)N1Cc2c(CCCCCOC)cccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ TYMS P04818 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL23739497 0.90 THRB (0.33) THRBGAAPOLBLMNAALDH1A1
SCHEMBL21848620 0.88 THRB (0.34) THRBGAAPOLBLMNAALDH1A1
SCHEMBL23739470 0.86 LMNA (0.36) THRBGAAPOLBLMNAALDH1A1
SCHEMBL23739619 0.84 IDO1 (0.36) POLBLMNAALDH1A1
SCHEMBL23739919 0.84 IDO1 (0.36) POLBLMNAALDH1A1
SCHEMBL23739950 0.84 MEN1 (0.35) POLBHTTMEN1KMT2A
SCHEMBL23739930 0.84 ITGB2 (0.34) THRBGAAKMT2A
SCHEMBL23934675 0.83 THRB (0.33) THRBGAAPOLBLMNAALDH1A1
SCHEMBL23739853 0.82 HTR7 (0.43) MAPTMEN1KMT2A
SCHEMBL26443198 0.82 ALDH1A1 (0.36) THRBGAAPOLBLMNAALDH1A1

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-2020249048-A1 ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2020-12-17 — — WO disclosed
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