SCHEMBL10896926

SCHEMBL10896926

CCCCCCCCCCCCCCCC(=O)OC1=C(c2ccc(C)cc2Cl)C(=O)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLM Q9NP87 1/20 0.36
▸ POLK Q9UBT6 1/20 0.36
▸ POLL Q9UGP5 1/20 0.36
▸ POLH Q9Y253 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ ACHE P22303 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
SCHEMBL10948981 0.81 KMT2A (0.44) KMT2ASMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL10942990 0.77 PTPN1 (0.44) KMT2ASMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL10897552 0.77 KMT2A (0.47) KMT2ASMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL10899959 0.74 KMT2A (0.41) KMT2ASMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL10731415 0.68 HPGD (0.39) KMT2ASMN1; SMN2TDP1ALDH1A1MAPK1
SCHEMBL10733838 0.67 KMT2A (0.38) KMT2ASMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL13763454 0.66 KMT2A (0.61) KMT2ASMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL3504944 0.66 KMT2A (0.61) KMT2ASMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL3505506 0.66 KMT2A (0.61) KMT2ASMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL13763455 0.66 KMT2A (0.61) KMT2ASMN1; SMN2ALDH1A1MEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4632698-A MITICIDES; HERBICIDES UNION CARBIDE CORPORATION (US) 1986-12-30 — — US disclosed
US-4551547-A HERBICIDES UNION CARBIDE CORPORATION (US) 1985-11-05 — — US disclosed
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