SCHEMBL21537500

SCHEMBL21537500

N#COCC(O)CN1CCN(CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ HTT P42858 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ADRB2 P07550 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ USP2 O75604 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11478959 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ETP53KMT2AHTT
SCHEMBL21469813 0.77 TP53 (0.55) ALDH1A1KDM4ETP53KMT2AHTT
SCHEMBL15296753 0.75 SMN1; SMN2 (0.61) ALDH1A1KDM4ETP53KMT2AHTT
SCHEMBL1361162 0.74 MAPT (0.64) ALDH1A1KDM4ETP53KMT2AHTT
SCHEMBL12227800 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ETP53KMT2AHTT
SCHEMBL1361160 0.71 KMT2A (0.58) ALDH1A1KDM4ETP53KMT2AHTT
SCHEMBL27220450 0.71 KMT2A (0.58) ALDH1A1KDM4ETP53KMT2AHTT
Water SCHEMBL6936586 0.68 KMT2A (0.46) ALDH1A1KDM4ETP53KMT2AHTT
Water SCHEMBL72731 0.68 KMT2A (0.46) ALDH1A1KDM4ETP53KMT2AHTT
Water SCHEMBL1444204 0.68 KMT2A (0.46) ALDH1A1KDM4ETP53KMT2AHTT

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-11041062-B2 Rubber composition and pneumatic tire THE YOKOHAMA RUBBER CO., LTD. 2021-06-22 — — US disclosed
US-20190330448-A1 Rubber Composition and Pneumatic Tire THE YOKOHAMA RUBBER CO., LTD. (JP) 2019-10-31 — — US disclosed
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