SCHEMBL10948656

SCHEMBL10948656

CCCCCC(=O)OC1=C(c2ccc(Cl)c(OC)c2)C(=O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ TOP2A P11388 1/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ RET P07949 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PAK1 Q13153 1/20 0.34

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
SCHEMBL10950579 0.89 HPGD (0.41) HPGDNPSR1ALDH1A1MAPK1ALOX15
SCHEMBL10951657 0.86 TOP2A (0.41) HPGDTOP2ANPSR1LMNAGAA
SCHEMBL10947987 0.84 HPGD (0.37) HPGDNPSR1LMNAALDH1A1MAPK1
SCHEMBL10944971 0.83 HPGD (0.38) HPGDNPSR1ALDH1A1MAPK1ALOX15
SCHEMBL10945418 0.82 KMT2A (0.38) HPGDNPSR1ALDH1A1MAPK1ALOX15
SCHEMBL10948933 0.81 KMT2A (0.37) HPGDNPSR1LMNAALDH1A1MAPK1
SCHEMBL10947331 0.81 KMT2A (0.38) HPGDNPSR1LMNAALDH1A1ALOX15
SCHEMBL10946309 0.80 KMT2A (0.40) HPGDNPSR1GAAALDH1A1MAPK1
SCHEMBL10945217 0.80 KMT2A (0.40) HPGDNPSR1GAAALDH1A1MAPK1
SCHEMBL10948746 0.80 KMT2A (0.40) HPGDNPSR1GAAALDH1A1MAPK1

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
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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