SCHEMBL5800263

SCHEMBL5800263

CCOC(=O)[C@H](C)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PTGS2 P35354 8/20 0.35
ABCB11 O95342 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
LMNA P02545 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
P4HB P07237 1/20 0.33

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
SCHEMBL5800266 1.00 TSHR (0.39) TSHRPTGS2ABCB11AKR1C3AKR1C2
SCHEMBL5800360 0.94 PTGS2 (0.38) TSHRPTGS2ABCB11AKR1C3AKR1C2
SCHEMBL5800364 0.94 PTGS2 (0.38) TSHRPTGS2ABCB11AKR1C3AKR1C2
SCHEMBL5808998 0.93 PTGS2 (0.35) TSHRPTGS2AKR1C3AKR1C2PSEN1
SCHEMBL5808994 0.93 PTGS2 (0.35) TSHRPTGS2AKR1C3AKR1C2PSEN1
SCHEMBL5798228 0.92 PTGS2 (0.40) TSHRPTGS2
SCHEMBL5560484 0.91 TSHR (0.35) TSHRPTGS2ABCB11AKR1C3AKR1C2
SCHEMBL5801230 0.90 PTGS2 (0.36) TSHRPTGS2ABCB11AKR1C3AKR1C2
SCHEMBL5801225 0.90 PTGS2 (0.36) TSHRPTGS2ABCB11AKR1C3AKR1C2
SCHEMBL5808521 0.90 APP (0.37) TSHRPTGS2ABCB11AKR1C3AKR1C2

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-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed