SCHEMBL5724243

SCHEMBL5724243

OCCNc1ccc(NCCO)c2c1CCO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TDP1 Q9NUW8 3/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ SLC22A2 O15244 1/20 0.30
▸ SLC22A1 O15245 1/20 0.30
▸ CACNA1F O60840 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ SLC22A3 O75751 1/20 0.30
▸ NSD2 O96028 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ERBB2 P04626 1/20 0.30

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
SCHEMBL3657085 0.64 KDM4E (0.46) KDM4EGLAMAPK1LMNAABCB1
SCHEMBL6156472 0.61 KDM4E (0.57) RECQLKDM4EGLATSHRMAPK1
Hydrochloric Acid SCHEMBL30668517 0.60 HSP90AB1 (0.35) RECQLKDM4EGLATSHRMAPK1
Hydrochloric Acid SCHEMBL29076304 0.60 HSP90AB1 (0.35) RECQLKDM4EGLATSHRMAPK1
SCHEMBL21495180 0.60 MTNR1A (0.32) KDM4EGLAALDH1A1
SCHEMBL25032056 0.60 IDO1 (0.32) —
SCHEMBL25030877 0.60 — —
SCHEMBL31304829 0.59 ALDH1A1 (0.35) ALDH1A1
Ammonia Solution, Strong SCHEMBL27622161 0.58 KMT2A (0.36) RECQLKDM4EGLATSHRKMT2A
Hydrochloric Acid SCHEMBL4200936 0.58 KMT2A (0.67) RECQLKDM4EGLATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1629824-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-03-01 — — EP disclosed
EP-1517669-B1 NOVEL COUPLING COMPONENTS HENKEL KGAA (DE) 2005-10-26 — — EP disclosed
EP-1517669-A1 NOVEL COUPLING COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-03-30 — — EP disclosed
WO-2004058204-A1 NOVEL COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 — — WO disclosed
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