SCHEMBL13675824

SCHEMBL13675824

CC[C@H](CC=O)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.44
▸ ADH1B P00325 1/20 0.44
▸ ADH1C P00326 1/20 0.44
▸ ADH1A P07327 1/20 0.44
▸ ADH7 P40394 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ACP3 P15309 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 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
SCHEMBL9063693 1.00 SIGMAR1 (0.44) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL9063683 0.83 SIGMAR1 (0.55) SIGMAR1SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL27760481 0.83 ADH1B (0.44) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL9492284 0.79 HTR2A (0.47) SIGMAR1SMN1; SMN2POLB
SCHEMBL2538903 0.79 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL13675822 0.79 SIGMAR1 (0.61) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL9063684 0.79 SIGMAR1 (0.61) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL10696254 0.79 SIGMAR1 (0.61) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL4171219 0.77 ALDH1A1 (0.52) SIGMAR1SMN1; SMN2TDP1ALDH1A1ACP3
SCHEMBL1318063 0.77 ALDH1A1 (0.52) SIGMAR1SMN1; SMN2TDP1ALDH1A1ACP3

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-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 — — US disclosed
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