SCHEMBL10944971

SCHEMBL10944971

CCCCCCC(=O)OC1=C(c2cc(Cl)c(Cl)c(Cl)c2)C(=O)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ ELANE P08246 2/20 0.33
▸ POLM Q9NP87 1/20 0.33
▸ POLK Q9UBT6 1/20 0.33
▸ POLL Q9UGP5 1/20 0.33
▸ POLH Q9Y253 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL10948933 0.90 KMT2A (0.37) HPGDKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL10950579 0.89 HPGD (0.41) HPGDKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL10947987 0.84 HPGD (0.37) HPGDKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL10942813 0.83 KMT2A (0.40) KMT2ANPSR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10948656 0.83 HPGD (0.39) HPGDKMT2ANPSR1ALDH1A1MEN1
SCHEMBL10945217 0.82 KMT2A (0.40) HPGDKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL10948746 0.82 KMT2A (0.40) HPGDKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL10946309 0.82 KMT2A (0.40) HPGDKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL10732025 0.82 HPGD (0.38) HPGDKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL10951881 0.82 KMT2A (0.40) KMT2ANPSR1SMN1; SMN2ALDH1A1MEN1

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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