SCHEMBL8889142

SCHEMBL8889142

CCOC(=O)c1ccc(O)c2c1OC(C)([C@H]1CC=C(C)CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CNR2 P34972 2/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TLR2 O60603 1/20 0.32
NSD2 O96028 1/20 0.32
PKM P14618 1/20 0.32
MPI P34949 1/20 0.32
GRK6 P43250 1/20 0.32
RECQL P46063 1/20 0.32
TLR1 Q15399 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
SCHEMBL8891507 0.88 CDC25B (0.37) CNR2MAPTALDH1A1KDM4EKMT2A
SCHEMBL8888634 0.86 MAPT (0.34) MAPT
SCHEMBL8888254 0.79 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL8887766 0.79 IDO1 (0.32)
SCHEMBL8890048 0.75 MAPT (0.35) MAPTALDH1A1KDM4ETDP1RAB9A
SCHEMBL9319161 0.68 MTNR1A (0.35) MAPTKDM4E
SCHEMBL8890725 0.68 MTNR1A (0.35) MAPTKDM4E
SCHEMBL8887291 0.67 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL17874455 0.64 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL14290549 0.64 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656659-A SUBSTITUTED DIHYDROBENZOFURAN COMPOUNDS T CELL SCIENCES, INC. (US) 1997-08-12 US disclosed
US-5401767-A Compounds which inhibit complement and/or suppress immune activity T CELL SCIENCES, INC. (US) 1995-03-28 US disclosed
US-5366986-A SPIROBENZOFURAN-2(3H)-CYCLOALKANE COMPOUNDS T CELL SCIENCES, INC. (US) 1994-11-22 US disclosed
US-5173499-A 4-Methoxyspiro(benzofuran-2,1'-cyclohexane)-7-N-methyl-carboxamides and derivatives; autoimmune diseases; antiischemic agents; respiratory system disorders T CELL SCIENCES, INC. (US) 1992-12-22 US disclosed