SCHEMBL5797359

SCHEMBL5797359

CCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ELANE P08246 2/20 0.45
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 1/20 0.35
CYP2D6 P10635 1/20 0.35
SRC P12931 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
SCHEMBL5797355 1.00 LMNA (0.46) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5797814 0.93 LMNA (0.41) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5797811 0.93 LMNA (0.41) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5558888 0.90 ELANE (0.44) LMNAELANEALDH1A1SMN1; SMN2POLB
SCHEMBL5558886 0.90 ELANE (0.44) LMNAELANEALDH1A1SMN1; SMN2POLB
SCHEMBL5801025 0.90 LMNA (0.39) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5801027 0.90 LMNA (0.39) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5800716 0.88 ALDH1A1 (0.36) AKR1C3AKR1C2ALDH1A1KMT2A
SCHEMBL5800719 0.88 ALDH1A1 (0.36) AKR1C3AKR1C2ALDH1A1KMT2A
SCHEMBL5554437 0.88 SRC (0.40) LMNAELANEAKR1C3AKR1C2ALDH1A1

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