SCHEMBL7112574

SCHEMBL7112574

CCCC(C(=O)Cl)c1cccc(-c2cccc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
CTSA P10619 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CTSK P43235 2/20 0.40
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC6A9 P48067 1/20 0.38
CNR1 P21554 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CTSL P07711 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
SCHEMBL27646046 0.91 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7112339 0.87 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19612744 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19612687 0.79 MEN1 (0.49)
SCHEMBL15326099 0.79 KCNQ2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL499473 0.77 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL971454 0.76 CYP2C19 (0.48)
SCHEMBL7763092 0.76 CTSK (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20553663 0.76 CTSS (0.49) CTSACTSKAKR1C2CTSLCTSS
SCHEMBL27566465 0.75 ADRA1D (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 EP disclosed
US-6350907-B1 PEPTIDE ENZYME INHIBITORS PFIZER INC 2002-02-26 US disclosed
CN-1284942-A matrix metalloproteinase inhibitors PFIZER LTD (US) 2001-02-21 CN disclosed
EP-1047665-A1 MATRIX METALLOPROTEASE INHIBITORS Pfizer Limited (GB) 2000-11-02 EP disclosed
WO-1999035124-A1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LIMITED (GB) 1999-07-15 WO disclosed