SCHEMBL2846362

SCHEMBL2846362

COC(=O)Cc1ccc(C(O)CCC(C)C)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
CASR P41180 7/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
PDK2 Q15119 1/20 0.39
LMNA P02545 2/20 0.38
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
PTGES O14684 1/20 0.35

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
SCHEMBL2841878 0.88 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7807005 0.87 CASR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7811140 0.84 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2842733 0.81 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2848196 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597184 0.80 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2848285 0.80 CASR (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2844382 0.79 CASR (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846688 0.78 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4624986 0.78 PSEN1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed