SCHEMBL8535928

SCHEMBL8535928

Cc1cc(-c2cc(O)c(Cc3cccc(SC4CCCCC4)c3)c(=O)o2)ccc1OCc1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
P2RY12 Q9H244 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PRKDC P78527 2/20 0.33
PDE4A P27815 1/20 0.33
VCP P55072 6/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.33
KLK8 O60259 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
ELANE P08246 1/20 0.32
KLK14 Q9P0G3 1/20 0.32
KLK5 Q9Y337 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL6957976 0.88 P2RY12 (0.35) PDCD1CD274P2RY12PDE3BPDE3A
SCHEMBL8535930 0.79 VCP (0.39) VCP
SCHEMBL6957968 0.78 PDE4A (0.36) PDCD1CD274P2RY12PDE3BPDE3A
SCHEMBL8538658 0.77 ABCB1 (0.44) ALDH1A1KMT2A
SCHEMBL6964221 0.73 HTR1A (0.41) P2RY12PDE3BPDE3APRKDCPIK3CD
SCHEMBL6964162 0.72 PDE3B (0.46) P2RY12PDE3BPDE3APRKDCALDH1A1
SCHEMBL7370955 0.68 TERT (0.38) PRKDCALDH1A1VKORC1
SCHEMBL6966209 0.66 FFAR4 (0.40) ALDH1A1
SCHEMBL6955480 0.66 GPR132 (0.42) ALDH1A1KMT2A
SCHEMBL8540378 0.66 ACHE (0.48) PRKDC

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed