SCHEMBL5813477

SCHEMBL5813477

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PTGS2 P35354 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 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
SCHEMBL5813474 1.00 ELANE (0.35) ELANEALDH1A1L3MBTL1CNR1CNR2
SCHEMBL5801021 0.91 LMNA (0.38) ELANEALDH1A1SMN1; SMN2LMNACHRNB2
SCHEMBL5801018 0.91 LMNA (0.38) ELANEALDH1A1SMN1; SMN2LMNACHRNB2
SCHEMBL5560746 0.91 ELANE (0.37) ELANEALDH1A1L3MBTL1CNR1CNR2
SCHEMBL5797308 0.91 ELANE (0.41) ELANEALDH1A1L3MBTL1CNR1CNR2
SCHEMBL5797304 0.91 ELANE (0.41) ELANEALDH1A1L3MBTL1CNR1CNR2
SCHEMBL5800820 0.89 PTGS2 (0.35) PTGS2MEN1KMT2ACHRNA1CHRNG
SCHEMBL5800822 0.89 PTGS2 (0.35) PTGS2MEN1KMT2ACHRNA1CHRNG
SCHEMBL5801111 0.89 CNR1 (0.36) ELANEALDH1A1L3MBTL1CNR1CNR2
SCHEMBL5801105 0.89 CNR1 (0.36) ELANEALDH1A1L3MBTL1CNR1CNR2

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