SCHEMBL5507207

SCHEMBL5507207

Cc1cc(C)c(C(=O)P(C(=O)c2ccccc2)C(=O)c2ccccc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
BCL2L1 Q07817 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL21352315 0.85 KMT2A (0.38) CES2CES1KMT2AMEN1LMNA
SCHEMBL895436 0.84 KMT2A (0.40) CES2CES1KMT2AMEN1LMNA
Acetophenone SCHEMBL5318332 0.79 MAPT (0.40) CES2CES1KMT2AMEN1LMNA
SCHEMBL50648 0.79 KMT2A (0.56) CES2CES1KMT2AMEN1LMNA
SCHEMBL1346680 0.78 CES1 (0.55) CES2CES1KMT2AMEN1LMNA
Benzophenone SCHEMBL3324674 0.77 ALDH1A1 (0.58) CES2CES1KMT2AMEN1LMNA
Lithium SCHEMBL30994890 0.77 KMT2A (0.54) CES2CES1KMT2AMEN1LMNA
Bicarbonate SCHEMBL15643478 0.77 KMT2A (0.54) CES2CES1KMT2AMEN1LMNA
SCHEMBL31220878 0.77 KMT2A (0.54) CES2CES1KMT2AMEN1LMNA
SCHEMBL28867988 0.77 KMT2A (0.54) CES2CES1KMT2AMEN1LMNA

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-1829909-B1 METHOD FOR PRODUCING BRANCHED POLYETHER RESIN COMPOSITION AND METHOD FOR PRODUCING ACID-PENDANT BRANCHED POLYETHER RESIN COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2012-10-24 EP disclosed
EP-1829909-A1 METHOD FOR PRODUCING BRANCHED POLYETHER RESIN COMPOSITION AND METHOD FOR PRODUCING ACID-PENDANT BRANCHED POLYETHER RESIN COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-09-05 EP disclosed