SCHEMBL3661053

SCHEMBL3661053

CN(C)C(=O)C1OC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.56
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CAPN1 P07384 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PPM1B O75688 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3343000 0.80 TSHR (0.49) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL3342998 0.80 TSHR (0.49) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL3344077 0.78 AOC3 (0.46) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL3344071 0.78 AOC3 (0.46) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL28353495 0.78 EPHX1 (0.62) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL28353470 0.78 EPHX1 (0.62) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL6047375 0.78 EPHX1 (0.62) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL6836966 0.77 EPHX1 (0.53) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL9364118 0.77 EPHX1 (0.53) EPHX1TSHRHPGDMEN1KMT2A
SCHEMBL22551016 0.77 EPHX1 (0.45) EPHX1TSHRHPGDMEN1KMT2A

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-2242776-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF Corporation (US) 2010-10-27 EP disclosed
WO-2009088596-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF CATALYSTS LLC (US) 2009-07-16 WO disclosed