SCHEMBL6977571

SCHEMBL6977571

CCOC(=O)C1Oc2cc(OC)ccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL10197624 0.84 TDP2 (0.49) ALDH1A1NR3C1PGRKMT2AMEN1
SCHEMBL3382999 0.81 ALDH1A1 (0.53) ALDH1A1TDP1NR3C1PGRKMT2A
SCHEMBL9672682 0.79 FFAR1 (0.36) ALDH1A1TDP1NR3C1PGRKMT2A
SCHEMBL3357234 0.79 MAPT (0.43) ALDH1A1TDP1NR3C1PGRKMT2A
SCHEMBL25072493 0.77 ALDH1A1 (0.44) ALDH1A1TDP1NR3C1PGRKMT2A
SCHEMBL3355386 0.77 HSD17B10 (0.51) ALDH1A1TSHRHSD17B10KDM4EPOLB
SCHEMBL5799822 0.77 GAA (0.44) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL30060716 0.76 CA2 (0.46) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL914279 0.76 CA2 (0.46) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL3358045 0.76 ALDH1A1 (0.45) ALDH1A1TDP1KMT2AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed