SCHEMBL3675903

SCHEMBL3675903

CCNCC(=O)O.O=C(O)CNCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.57
MTNR1B P49286 4/20 0.57
TBXAS1 P24557 9/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL3021935 0.92 MTNR1A (0.61) MTNR1AMTNR1BTBXAS1TBXA2R
SCHEMBL27575513 0.78 CYP1A2 (0.41) MTNR1AMTNR1B
Biphenyl SCHEMBL243327 0.77 MMP12 (0.49)
SCHEMBL6046322 0.77 KMT2A (0.58)
Hydrochloric Acid SCHEMBL11607572 0.75 KMT2A (0.56)
SCHEMBL11378260 0.75 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL7502446 0.75 TBXAS1 (0.53) TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL6004103 0.73 TBXAS1 (0.51) TBXAS1TBXA2R
SCHEMBL3675900 0.73 MTNR1A (0.41) MTNR1AMTNR1B
Naphthalene SCHEMBL11670474 0.73 KMT2A (0.52)

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-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO disclosed