SCHEMBL12347477

SCHEMBL12347477

CCN1CCOc2ccc(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
PTGER3 P43115 3/20 0.44
THRB P10828 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL13180252 0.87 NR3C1 (0.42) MAPTALDH1A1HTTPTGER3NR3C1
SCHEMBL13266272 0.83 MAPT (0.46) MAPTALDH1A1HTTTHRBAR
SCHEMBL16812264 0.83 MAPT (0.46) MAPTALDH1A1HTTTHRBAR
SCHEMBL16907852 0.83 MAPT (0.43) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL16812266 0.83 MAPT (0.46) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL15650565 0.82 PTGER3 (0.43) MAPTHTTPTGER3NR3C1PGR
SCHEMBL12347476 0.82 PTGER3 (0.46) MAPTALDH1A1HTTPTGER3THRB
SCHEMBL3765131 0.82 PTGER3 (0.46) ALDH1A1PTGER3NR3C1PGRAR
SCHEMBL10228321 0.82 PTGER3 (0.43) MAPTPTGER3NR3C1PGRAR
SCHEMBL31167486 0.82 PTGER3 (0.43) MAPTHTTPTGER3NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017214301-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214462-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214282-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214458-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214335-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 EP disclosed
WO-2016094509-A1 BCL XL INHIBITORY COMPOUNDS HAVING LOW CELL PERMEABILITY AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
EP-2354126-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2011-08-10 EP disclosed