SCHEMBL19307313

SCHEMBL19307313

NN(CCO)c1ccc(NCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PRSS1 P07477 8/20 0.34
▸ F2 P00734 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ TMPRSS6 Q8IU80 2/20 0.33
▸ ST14 Q9Y5Y6 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KCNH3 Q9ULD8 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32

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
SCHEMBL9022771 0.81 ALDH1A1 (0.53) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL6152657 0.77 MAPT (0.50) ALDH1A1KDM4EPRSS1F2PRSS2
SCHEMBL11507189 0.75 MAPT (0.55) ALDH1A1KDM4EPRSS1F2PRSS2
SCHEMBL4176103 0.75 ADRA2A (0.47) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL7637421 0.74 MAPT (0.52) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL2759019 0.74 ALDH1A1 (0.47) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL271536 0.73 APP (0.50) ALDH1A1KDM4EMAPTKCNH3CA12
SCHEMBL10668913 0.72 MAPT (0.53) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL4668959 0.72 ALDH1A1 (0.42) ALDH1A1TDP1TSHRKDM4EPRSS1
SCHEMBL9652234 0.71 ALDH1A1 (0.51) ALDH1A1TDP1TSHRKDM4EMAPT

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-10219994-B2 Method for the simultaneous permanent shaping and dyeing of keratinic fibers HENKEL AG & CO. KGAA (DE) 2019-03-05 — — US disclosed
US-20170252291-A1 METHOD FOR THE SIMULTANEOUS PERMANENT SHAPING AND DYEING OF KERATINIC FIBERS HENKEL AG & CO. KGAA (DE) 2017-09-07 — — US disclosed
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