SCHEMBL5801018

SCHEMBL5801018

Cc1c([C@@H](C)C(=O)OC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
ELANE P08246 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PIK3CD O00329 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PLA2G7 Q13093 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL5801021 1.00 LMNA (0.38) LMNAALDH1A1GAATSHRELANE
SCHEMBL5813474 0.91 ELANE (0.35) LMNAALDH1A1ELANESMN1; SMN2CHRNB2
SCHEMBL5813477 0.91 ELANE (0.35) LMNAALDH1A1ELANESMN1; SMN2CHRNB2
SCHEMBL5807770 0.91 LMNA (0.39) LMNAALDH1A1GAATSHRELANE
SCHEMBL5799942 0.90 LMNA (0.37) LMNAALDH1A1GAATSHRELANE
SCHEMBL5800822 0.88 PTGS2 (0.35) AKR1C3AKR1C2CHRNB2SLC6A2CHRNB4
SCHEMBL5800820 0.88 PTGS2 (0.35) AKR1C3AKR1C2CHRNB2SLC6A2CHRNB4
SCHEMBL5559038 0.88 AKR1C3 (0.37) LMNAALDH1A1GAATSHRPIK3CD
SCHEMBL5559033 0.88 AKR1C3 (0.37) LMNAALDH1A1GAATSHRPIK3CD
SCHEMBL5560459 0.88 AKR1C3 (0.37) LMNAALDH1A1GAATSHRPIK3CD

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