SCHEMBL8801136

SCHEMBL8801136

CCCCn1c(Cc2ccc(B(O)O)cc2)cc2cc(C)cc(C)c21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
LPL P06858 9/20 0.40
LIPG Q9Y5X9 9/20 0.40
TRPV1 Q8NER1 2/20 0.40
MGLL Q99685 1/20 0.40
DCTPP1 Q9H773 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
IDH1 O75874 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL7408849 0.88 DCTPP1 (0.40) CA2CA1LPLLIPGTRPV1
SCHEMBL8801753 0.87 CA1 (0.40) CA2CA1LPLLIPGTRPV1
SCHEMBL8802291 0.84 THRB (0.34) CA2CA1KDM4EMEN1ALDH1A1
SCHEMBL7418136 0.83 KMT2A (0.43) CA2CA1LPLLIPGTRPV1
SCHEMBL7413514 0.79 CA1 (0.40) CA2CA1LPLLIPGTRPV1
SCHEMBL7408857 0.78 CA1 (0.43) CA2CA1LPLLIPGTRPV1
SCHEMBL7413574 0.76 KDM4E (0.43) CA2CA1LPLLIPGTRPV1
SCHEMBL8801490 0.75 PSEN1 (0.42) CA2CA1LPLLIPGTRPV1
SCHEMBL8802098 0.75 CA1 (0.40) CA2CA1LPLLIPGTRPV1
SCHEMBL8802217 0.75 LPL (0.44) CA2CA1LPLLIPGTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed