SCHEMBL9681275

SCHEMBL9681275

CC(C)N(O)Cc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PYCR1 P32322 1/20 0.43
SLC6A4 P31645 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
CNR2 P34972 1/20 0.38
AOC3 Q16853 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
SCHEMBL8781906 0.81 CA12 (0.38) TSHRCA12CA1CA2CA4
SCHEMBL16312132 0.78 SLC6A2 (0.48) ALDH1A1HTTRAB9ASLC6A2SLC6A3
SCHEMBL20333453 0.78 KMT2A (0.53) ALDH1A1RAB9ASLC6A2SLC6A3SLC6A4
SCHEMBL7047327 0.75 ALDH1A1 (0.48) ALDH1A1HTTRAB9APYCR1SLC6A4
SCHEMBL6209059 0.75 LMNA (0.42) ALDH1A1HTTLMNATSHRCNR2
SCHEMBL8667684 0.75 ALDH1A1 (0.52) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL8392172 0.73 ALDH1A1 (0.49) ALDH1A1HTTRAB9ASLC6A2SLC6A3
SCHEMBL11708972 0.73 GAA (0.43) ALDH1A1HTTRAB9ASLC6A2SLC6A3
SCHEMBL11693743 0.73 KMT2A (0.49) ALDH1A1HTTRAB9ALMNAPSEN1
Hydrochloric Acid SCHEMBL5509033 0.73 ALDH1A1 (0.47) ALDH1A1HTTRAB9APYCR1SLC6A4

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
EP-0500934-A1 ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1992-09-02 EP disclosed