SCHEMBL5558604

SCHEMBL5558604

CC(=O)Oc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)c(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.47
PRKACA P17612 4/20 0.47
PRKACG P22612 4/20 0.47
PRKACB P22694 4/20 0.47
BCL2L1 Q07817 1/20 0.44
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 3/20 0.44
BCL2 P10415 1/20 0.36
MDM2 Q00987 1/20 0.36
MCL1 Q07820 1/20 0.36
BACE1 P56817 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IGFBP3 P17936 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5553811 0.89 MAPT (0.40) SRCPRKACAPRKACGPRKACBAKR1C3
SCHEMBL5558979 0.88 AKR1C3 (0.39) BCL2L1AKR1C3AKR1C2
SCHEMBL5560537 0.88 AKR1C3 (0.47) SRCPRKACAPRKACGPRKACBBCL2L1
SCHEMBL5800049 0.86 KMT2A (0.37) SRCAKR1C3AKR1C2KDM4EHSD17B10
SCHEMBL5821239 0.85 AKR1C3 (0.38) SRCPRKACAPRKACGPRKACBBCL2L1
SCHEMBL5823303 0.85 AKR1C3 (0.43) SRCPRKACAPRKACGPRKACBBCL2L1
SCHEMBL5559667 0.83 PTGS2 (0.35) SRCAKR1C3AKR1C2KDM4EHSD17B10
SCHEMBL5560264 0.83 PTGS2 (0.35) SRCAKR1C3AKR1C2HPGDKDM4E
SCHEMBL5559414 0.83 LMNA (0.40) SRCAKR1C3AKR1C2HPGDKDM4E
SCHEMBL5558391 0.82 SRC (0.42) SRCPRKACAPRKACGPRKACBBCL2L1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed