SCHEMBL15514834

SCHEMBL15514834

NC(=O)Oc1cccc2c1CCO2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.48
MTNR1A P48039 11/20 0.46
MTNR1B P49286 10/20 0.46
SLC9A5 Q14940 1/20 0.46
SLC9A2 Q9UBY0 1/20 0.46
NOTUM Q6P988 1/20 0.40
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL15514663 0.85 MTNR1A (0.47) SLC9A1MTNR1AMTNR1BSLC9A5SLC9A2
SCHEMBL7781199 0.80 MTNR1A (0.44) SLC9A1MTNR1AMTNR1BSLC9A5SLC9A2
SCHEMBL28349459 0.77 MTNR1B (0.44) SLC9A1MTNR1AMTNR1BSLC9A5SLC9A2
SCHEMBL360947 0.77 MTNR1B (0.50) SLC9A1MTNR1AMTNR1BSLC9A5SLC9A2
SCHEMBL10368282 0.75 PARP1 (0.58) MTNR1APARP1MEN1KMT2A
SCHEMBL27640856 0.75 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL30184316 0.75 PARP1 (0.57) SLC9A1MTNR1AMTNR1BSLC9A5SLC9A2
SCHEMBL7122066 0.75 PARP1 (0.57) SLC9A1MTNR1AMTNR1BSLC9A5SLC9A2
SCHEMBL21626216 0.74 MTNR1B (0.47) SLC9A1MTNR1AMTNR1BSLC9A5SLC9A2
SCHEMBL11776412 0.74 KMT2A (0.38) MTNR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed