SCHEMBL5800286

SCHEMBL5800286

Cc1c(C(C)C(=O)NCCO)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.36
CXCL8 P10145 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CYP2B6 P20813 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 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
SCHEMBL5561342 0.93 TRPV1 (0.37) TRPV1MEN1KMT2AALDH1A1POLB
SCHEMBL5561347 0.93 TRPV1 (0.37) TRPV1MEN1KMT2AALDH1A1POLB
SCHEMBL5799266 0.92 LMNA (0.33) CXCL8PTGS2MAPTMEN1KMT2A
SCHEMBL5554482 0.91 CCKBR (0.38) TRPV1MEN1KMT2A
SCHEMBL5554474 0.91 CCKBR (0.38) TRPV1MEN1KMT2A
SCHEMBL5798914 0.90 PTGS2 (0.36) CXCL8PTGS2PTGS1MEN1KMT2A
SCHEMBL5800355 0.90 PTGS2 (0.36) TRPV1CXCL8PTGS2PTGS1MAPT
SCHEMBL5560610 0.90 TRPV1 (0.36) TRPV1MEN1KMT2APOLB
SCHEMBL5560614 0.90 TRPV1 (0.36) TRPV1MEN1KMT2APOLB
SCHEMBL5560619 0.90 TRPV1 (0.36) TRPV1MEN1KMT2APOLB

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