SCHEMBL16237682

SCHEMBL16237682

CC/C=C\CC(C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)OO

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 5/20 0.58
ALDH1A1 P00352 5/20 0.58
CYP19A1 P11511 4/20 0.58
MAPT P10636 4/20 0.58
PPARG P37231 3/20 0.58
RXRA P19793 2/20 0.58
FFAR1 O14842 2/20 0.58
KMT2A Q03164 3/20 0.48
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
PTGS1 P23219 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
MEN1 O00255 2/20 0.46
FPR2 P25090 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
PLA2G1B P04054 1/20 0.46

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
SCHEMBL12512880 1.00 OXER1 (0.58) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL30468681 1.00 OXER1 (0.58) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL12772434 1.00 OXER1 (0.58) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL1377700 1.00 OXER1 (0.58) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL12512874 1.00 OXER1 (0.58) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL19432801 0.95 ALDH1A1 (0.55) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL12872427 0.94 OXER1 (0.56) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL13264449 0.94 OXER1 (0.56) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL12512172 0.94 OXER1 (0.56) OXER1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL12931182 0.94 OXER1 (0.56) OXER1ALDH1A1CYP19A1MAPTPPARG

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-2999467-A1 USE OF A COMBINATION OF TWO COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF BONE DISORDERS Institut National De La Recherche Agronomique (INRA) (FR) 2016-03-30 EP disclosed
WO-2014184484-A1 USE OF A COMBINATION OF TWO COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF BONE DISORDERS INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE - INRA (FR) 2014-11-20 WO disclosed