SCHEMBL8895893

SCHEMBL8895893

CC(C)C[C@H](OC(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
TMEM97 Q5BJF2 7/20 0.51
SIGMAR1 Q99720 7/20 0.51
ABHD6 Q9BV23 1/20 0.50
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB2 P49721 1/20 0.46
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 3/20 0.46
HDAC8 Q9BY41 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL8610388 0.86 ABHD6 (0.56) ABHD6MAPTMEN1KMT2ATAAR1
SCHEMBL8896153 0.83 CACNA1B (0.46) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL8531114 0.83 CACNA1B (0.46) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL8898649 0.83 CACNA1B (0.46) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL324228 0.81 TMEM97 (0.67) TMEM97SIGMAR1MEN1KMT2APRMT5
SCHEMBL3898451 0.79 ABHD6 (0.42) RECQLTMEM97SIGMAR1ABHD6MAPT
SCHEMBL3898458 0.79 CTSS (0.56) PSMB1PSMB2
SCHEMBL8895899 0.77 ABHD6 (0.49) ABHD6MAPTMEN1KMT2ATAAR1
SCHEMBL6102363 0.76 ABHD6 (0.68) ABHD6MAPTTDP1MEN1KMT2A
SCHEMBL9358821 0.75 MEN1 (0.42) TMEM97SIGMAR1MAPTTDP1MEN1

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
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed