SCHEMBL5801301

SCHEMBL5801301

CCCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ELANE P08246 1/20 0.36
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 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
SCHEMBL5801297 1.00 PTGS2 (0.38) PTGS2ALDH1A1HPGDCNR1CNR2
SCHEMBL5797205 0.95 ELANE (0.38) PTGS2ALDH1A1HPGDCNR1CNR2
SCHEMBL5797209 0.95 ELANE (0.38) PTGS2ALDH1A1HPGDCNR1CNR2
SCHEMBL5796729 0.92 LMNA (0.39) PTGS2ALDH1A1ELANEKMT2AESR1
SCHEMBL5796727 0.92 LMNA (0.39) PTGS2ALDH1A1ELANEKMT2AESR1
SCHEMBL5797308 0.92 ELANE (0.41) ALDH1A1HPGDCNR1CNR2ELANE
SCHEMBL5797304 0.92 ELANE (0.41) ALDH1A1HPGDCNR1CNR2ELANE
SCHEMBL5796759 0.90 PTGS2 (0.39) PTGS2ALDH1A1ESR1
SCHEMBL5797067 0.90 PTGS2 (0.47) PTGS2
SCHEMBL5797064 0.90 PTGS2 (0.47) PTGS2

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