SCHEMBL5799266

SCHEMBL5799266

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CXCL8 P10145 1/20 0.33
PTGS2 P35354 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CTSL P07711 1/20 0.32
GLI1 P08151 1/20 0.32
GLI2 P10070 1/20 0.32
PIK3CD O00329 1/20 0.32
TSHR P16473 3/20 0.32
GAA P10253 1/20 0.32
ELANE P08246 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL5560788 0.93 LMNA (0.34) LMNAAKR1C3AKR1C2CYP3A4CYP2D6
SCHEMBL5560792 0.93 LMNA (0.34) LMNAAKR1C3AKR1C2CYP3A4CYP2D6
SCHEMBL5800286 0.92 TRPV1 (0.36) LMNACXCL8PTGS2ALDH1A1KDM4E
SCHEMBL5559505 0.91 AKR1C3 (0.36) LMNAAKR1C3AKR1C2CYP3A4CYP2D6
SCHEMBL5559500 0.91 AKR1C3 (0.36) LMNAAKR1C3AKR1C2CYP3A4CYP2D6
SCHEMBL5558663 0.89 AKR1C3 (0.37) LMNAAKR1C3AKR1C2CYP3A4CYP2D6
SCHEMBL5558658 0.89 AKR1C3 (0.37) LMNAAKR1C3AKR1C2CYP3A4CYP2D6
SCHEMBL5558652 0.89 AKR1C3 (0.37) LMNAAKR1C3AKR1C2CYP3A4CYP2D6
SCHEMBL5798914 0.89 PTGS2 (0.36) AKR1C3AKR1C2CXCL8PTGS2MEN1
SCHEMBL5559451 0.88 CYP3A4 (0.35) LMNAAKR1C3AKR1C2CYP3A4CYP2D6

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