SCHEMBL78487

SCHEMBL78487

COCCCn1cc(C)c2ccc(C(C)C)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.52
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASR P41180 3/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ANXA2 P07355 1/20 0.34
S100A10 P60903 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
SCHEMBL91360 0.83 REN (0.44) RENALDH1A1LMNAL3MBTL1CNR1
SCHEMBL16471683 0.82 REN (0.51) RENCNR1CNR2PDE4APDE4B
SCHEMBL78478 0.82 REN (0.41) RENBRD4L3MBTL1CNR1CNR2
SCHEMBL13962817 0.81 REN (0.42) RENALDH1A1CNR1CNR2PDE4A
SCHEMBL13962829 0.81 REN (0.42) RENALDH1A1CNR1CNR2PDE4A
SCHEMBL1050732 0.81 REN (0.42) RENALDH1A1CNR1CNR2SMN1; SMN2
SCHEMBL4602445 0.81 ICMT (0.44) RENCNR1CNR2PDE4APDE4B
SCHEMBL13131404 0.80 REN (0.41) RENCNR1CNR2PDE4APDE4B
SCHEMBL2805392 0.78 REN (0.43) RENCNR1CNR2PDE4APDE4B
SCHEMBL2811635 0.77 PTGER4 (0.45) RENALDH1A1LMNACNR1CNR2

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed