SCHEMBL7697972

SCHEMBL7697972

CCOc1ccc(C[C@@H](C(=O)O)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.73
KMT2A Q03164 3/20 0.73
ALDH1A1 P00352 5/20 0.70
GAA P10253 1/20 0.70
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.59
AADAT Q8N5Z0 1/20 0.56
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.53

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
SCHEMBL10427343 0.91 POLB (0.60) POLBKMT2AALDH1A1GAAMAPT
SCHEMBL4481252 0.87 ALDH1A1 (0.74) POLBKMT2AALDH1A1GAAL3MBTL1
SCHEMBL13919544 0.87 ALDH1A1 (0.74) POLBKMT2AALDH1A1GAAL3MBTL1
SCHEMBL18262723 0.87 KMT2A (0.77) POLBKMT2AALDH1A1GAAMAPT
SCHEMBL18262720 0.87 KMT2A (0.77) POLBKMT2AALDH1A1GAAMAPT
SCHEMBL11316794 0.85 KMT2A (1.00) POLBKMT2AALDH1A1GAAMAPT
SCHEMBL21914922 0.84 KMT2A (0.65) POLBKMT2AALDH1A1GAAL3MBTL1
SCHEMBL20246861 0.84 ALDH1A1 (0.82) POLBKMT2AALDH1A1GAAL3MBTL1
SCHEMBL4861809 0.83 ALDH1A1 (1.00) POLBKMT2AALDH1A1GAAMAPT
SCHEMBL392680 0.83 ALDH1A1 (1.00) POLBKMT2AALDH1A1GAAMAPT

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
WO-2002024631-A1 PROCESS TO PREPARE (2S)-2-(DIPROPYLAMINO)-6-ETHOXY-2,3-DIHYDRO-1H-INDENE-5-CARBOXAMIDE PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed