SCHEMBL2807969

SCHEMBL2807969

COc1ccc(Oc2ccc(CNC(=O)C3(N)CCC(=O)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PTPN7 P35236 2/20 0.41
DUSP3 P51452 2/20 0.41
EPHX2 P34913 9/20 0.41
P2RX7 Q99572 1/20 0.39
ESRRA P11474 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 2/20 0.37

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
Hydrochloric Acid SCHEMBL2786015 0.99 L3MBTL1 (0.41) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL2549180 0.93 L3MBTL1 (0.45) L3MBTL1PTPN7DUSP3EPHX2P2RX7
Trifluoroacetic Acid SCHEMBL2541472 0.89 HDAC3 (0.43) L3MBTL1PTPN7DUSP3EPHX2HDAC3
SCHEMBL13165651 0.89 MAPT (0.45) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL2785904 0.86 EPHX2 (0.40) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL2787523 0.86 L3MBTL1 (0.43) L3MBTL1PTPN7DUSP3EPHX2P2RX7
Trifluoroacetic Acid SCHEMBL2788039 0.85 L3MBTL1 (0.41) L3MBTL1PTPN7DUSP3EPHX2POLB
Hydrochloric Acid SCHEMBL2788143 0.85 L3MBTL1 (0.42) L3MBTL1PTPN7DUSP3EPHX2P2RX7
Trifluoroacetic Acid SCHEMBL2789689 0.84 P2RX7 (0.42) L3MBTL1PTPN7DUSP3EPHX2P2RX7
Trifluoroacetic Acid SCHEMBL2812299 0.84 EPHX2 (0.41) L3MBTL1PTPN7DUSP3EPHX2HDAC3

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-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed