SCHEMBL8959870

SCHEMBL8959870

COc1cccc(CCC(=O)C(=O)O)c1OC

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 3/20 0.51
CTSG P08311 1/20 0.51
CMA1 P23946 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 4/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ABCB1 P08183 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL490691 0.87 CTSG (0.56) KMT2AMEN1ALDH1A1CTSGCMA1
SCHEMBL7885276 0.86 CTSG (0.55) KMT2AMEN1ALDH1A1CTSGCMA1
SCHEMBL7333227 0.85 CA12 (0.54) KMT2AMEN1ALDH1A1CTSGCMA1
SCHEMBL7637117 0.85 MTNR1A (0.55) KMT2AMEN1ALDH1A1KDM4ETAAR1
SCHEMBL10714737 0.84 KMT2A (0.55) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL4684922 0.83 CA12 (0.51) KMT2AMEN1ALDH1A1CTSGCMA1
SCHEMBL2397498 0.83 CTSG (0.52) KMT2AMEN1ALDH1A1CTSGCMA1
SCHEMBL4684928 0.83 CA12 (0.55) KMT2AMEN1ALDH1A1CTSGCMA1
SCHEMBL612449 0.81 FFAR4 (0.51) KMT2AMEN1ALDH1A1CTSGCMA1
SCHEMBL6112724 0.80 PPARA (0.52) KMT2AMEN1ALDH1A1CTSGCMA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534536-B1 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON SPA (IT) 1996-01-31 EP disclosed
US-5221770-A PROCESS FOR THE PREPARATION OF 2-AMINO-5,6-DIMETHOXY-TETRALIN ZAMBON GROUP S.P.A. (IT) 1993-06-22 US disclosed
EP-0534536-A2 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON GROUP S.p.A. (IT) 1993-03-31 EP disclosed