SCHEMBL5795461

SCHEMBL5795461

CCCCCn1c2ccccc2c2cc(CO)ccc21

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.70
CNR2 P34972 15/20 0.65
PSEN1 P49768 2/20 0.58
PSEN2 P49810 2/20 0.58
APH1B Q8WW43 2/20 0.58
NCSTN Q92542 2/20 0.58
APH1A Q96BI3 2/20 0.58
PSENEN Q9NZ42 2/20 0.58
CNR1 P21554 1/20 0.55
RORA P35398 2/20 0.54
RORC P51449 2/20 0.54
RORB Q92753 2/20 0.54

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
SCHEMBL28304215 0.99 PGR (0.68) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL3011106 0.99 PGR (0.68) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL28305156 0.99 PGR (0.68) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL28304199 0.99 PGR (0.68) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL5514950 0.90 PSEN1 (0.60) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL5807330 0.90 PGR (0.63) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL4849333 0.83 KDM4E (0.67) PGR
SCHEMBL554428 0.83 CNR2 (0.63) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL278343 0.83 PGR (0.66) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL14141738 0.82 PGR (1.00) PGRRORARORCRORB

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-2006012310-A2 CARBAZOLE DERIVATIVES FOR TREATING POLYCYSTIC KIDNEY DISEASE GENZYME CORPORATION (US) 2006-02-02 WO disclosed