SCHEMBL12840659

SCHEMBL12840659

O=C(O)COc1ccccc1OCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
GLA P06280 1/20 0.61
PTGDR2 Q9Y5Y4 10/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.48
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PAX8 Q06710 1/20 0.48

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
SCHEMBL29682135 0.84 L3MBTL1 (0.80) L3MBTL1SMN1; SMN2POLBGLAPTGDR2
SCHEMBL340762 0.84 L3MBTL1 (0.80) L3MBTL1SMN1; SMN2POLBGLAPTGDR2
SCHEMBL13730248 0.83 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2POLBGLAPTGDR2
Ammonia Solution, Strong SCHEMBL28240461 0.82 L3MBTL1 (0.77) L3MBTL1SMN1; SMN2POLBGLAPTGDR2
SCHEMBL28288419 0.82 MAPT (0.52) L3MBTL1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1508488 0.82 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2POLBGLAPTGDR2
SCHEMBL1577431 0.82 RXRA (0.59) L3MBTL1SMN1; SMN2POLBGLAPTGDR2
SCHEMBL30680095 0.82 RXRA (0.59) L3MBTL1SMN1; SMN2POLBGLAPTGDR2
SCHEMBL10030744 0.81 AR (0.51) L3MBTL1SMN1; SMN2POLBGLAKDM4E
SCHEMBL7333637 0.79 CXCL8 (0.55) L3MBTL1SMN1; SMN2TDP1MEN1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012147107-A2 NOVEL & IMPROVED PROCESSES FOR THE PREPARATION OF INDOLINE DERIVATIVES AND ITS PHARMACEUTICAL COMPOSITION MSN LABORATORIES LIMITED (IN) 2012-11-01 WO claimed
WO-2012147107-A2 NOVEL & IMPROVED PROCESSES FOR THE PREPARATION OF INDOLINE DERIVATIVES AND ITS PHARMACEUTICAL COMPOSITION MSN LABORATORIES LIMITED (IN) 2012-11-01 WO disclosed
WO-2011030356-A2 PROCESS FOR THE PREPARATION OF INDOLINE DERIVATIVES AND THEIR INTERMEDIATES THEREOF SANDOZ AG (IN) 2011-03-17 WO disclosed