SCHEMBL5560432

SCHEMBL5560432

Cc1c(C(CCC(C(=O)O)c2c(C)n(C(=O)c3ccc(F)c(F)c3)c3cc(F)c(O)cc23)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.35
SRC P12931 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
ABCB1 P08183 1/20 0.33
IGFBP3 P17936 1/20 0.33

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
SCHEMBL6426944 0.95 AKR1C3 (0.35) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6427009 0.95 AKR1C3 (0.35) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6424583 0.93 AKR1C3 (0.34) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6425911 0.93 AKR1C3 (0.34) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6424935 0.93 AKR1C3 (0.36) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6425967 0.93 AKR1C3 (0.36) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6425806 0.91 AKR1C3 (0.35) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6426449 0.90 AKR1C3 (0.34) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6423905 0.88 AKR1C3 (0.33) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6424066 0.88 AKR1C3 (0.33) AKR1C3AKR1C2MEN1KMT2APTGS2

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