SCHEMBL13675822

SCHEMBL13675822

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.61
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.49
▸ BCHE P06276 1/20 0.48
▸ ADH1B P00325 1/20 0.47
▸ ADH1C P00326 1/20 0.47
▸ ADH1A P07327 1/20 0.47
▸ ADH7 P40394 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ SLC18A2 Q05940 1/20 0.41

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
SCHEMBL9063684 1.00 SIGMAR1 (0.61) SIGMAR1KMT2AMEN1TAAR1BCHE
SCHEMBL10696254 1.00 SIGMAR1 (0.61) SIGMAR1KMT2AMEN1TAAR1BCHE
SCHEMBL28997722 0.83 SIGMAR1 (0.63) SIGMAR1KMT2AMEN1TAAR1BCHE
SCHEMBL14637678 0.82 SIGMAR1 (0.64) SIGMAR1KMT2AMEN1TAAR1SMN1; SMN2
SCHEMBL27813235 0.81 SIGMAR1 (0.61) SIGMAR1KMT2AMEN1TAAR1BCHE
SCHEMBL9063693 0.79 SIGMAR1 (0.44) SIGMAR1KMT2AMEN1TAAR1ADH1B
SCHEMBL13675824 0.79 SIGMAR1 (0.44) SIGMAR1KMT2AMEN1TAAR1ADH1B
SCHEMBL9878514 0.77 SIGMAR1 (0.56) SIGMAR1BCHESMN1; SMN2POLBALDH1A1
SCHEMBL17807875 0.77 SIGMAR1 (0.56) SIGMAR1KMT2AMEN1TAAR1BCHE
SCHEMBL10134832 0.77 SIGMAR1 (0.55) SIGMAR1KMT2AMEN1TAAR1BCHE

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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