SCHEMBL2360237

SCHEMBL2360237

CCC(C(=O)O)C(CC)c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
AKR1C1 Q04828 1/20 0.47
PTGS1 P23219 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
AOC3 Q16853 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2178238 0.85 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL2176161 0.85 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL2176160 0.85 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL2322439 0.85 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL30786879 0.85 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL11618270 0.82 AOC3 (0.51) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL2020322 0.80 AKR1C3 (0.70) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL18321003 0.80 L3MBTL1 (0.51) L3MBTL1MTNR1AMTNR1BKDM4ELMNA
SCHEMBL18320840 0.80 L3MBTL1 (0.51) L3MBTL1MTNR1AMTNR1BKDM4ELMNA
SCHEMBL14683147 0.79 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BAOC3

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-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed