SCHEMBL5801111

SCHEMBL5801111

Cc1c([C@H](C)C(=O)OC(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGS2 P35354 3/20 0.35
ELANE P08246 3/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL5801105 1.00 CNR1 (0.36) CNR1CNR2PTGS2ELANEPOLB
SCHEMBL6423511 0.91 ELANE (0.37) CNR1CNR2PTGS2ELANEPOLB
SCHEMBL5559072 0.91 ELANE (0.37) CNR1CNR2PTGS2ELANEPOLB
SCHEMBL5798158 0.91 ELANE (0.41) CNR1CNR2PTGS2ELANEPOLB
SCHEMBL5800522 0.90 LMNA (0.38) ELANEHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL5800520 0.90 LMNA (0.38) ELANEHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL5797065 0.90 APP (0.38) CNR1CNR2PTGS2ELANEPOLB
SCHEMBL5813477 0.89 ELANE (0.35) CNR1CNR2PTGS2ELANEPOLB
SCHEMBL5813474 0.89 ELANE (0.35) CNR1CNR2PTGS2ELANEPOLB
SCHEMBL5550614 0.88 PTGS2 (0.41) CNR1CNR2PTGS2POLBALDH1A1

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