SCHEMBL6566848

SCHEMBL6566848

CCOc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
KIF11 P52732 1/20 0.55
ACSS2 Q9NR19 2/20 0.55
NQO1 P15559 1/20 0.54
RELA Q04206 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
NPY2R P49146 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
PLK1 P53350 1/20 0.44

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
SCHEMBL18387604 0.93 ACSS2 (0.50) LTA4HKIF11ACSS2NQO1RELA
SCHEMBL11608604 0.83 NQO1 (0.52) LTA4HNQO1MEN1KMT2ASMN1; SMN2
SCHEMBL12128744 0.82 SMN1; SMN2 (0.64) LTA4HKIF11NQO1RELAMEN1
SCHEMBL533827 0.81 LTA4H (0.60) LTA4HMEN1KMT2ATSHRTP53
SCHEMBL1812486 0.81 KIF11 (0.49) LTA4HKIF11ACSS2NQO1RELA
SCHEMBL9304869 0.81 LTA4H (0.60) LTA4HMEN1KMT2ATSHRTP53
SCHEMBL18302086 0.81 LTA4H (0.60) LTA4HMEN1KMT2ATSHRTP53
SCHEMBL6423852 0.81 LTA4H (0.57) LTA4HKIF11NQO1RELAMEN1
SCHEMBL7865523 0.81 LTA4H (0.57) LTA4HKIF11NQO1RELAMEN1
Triphenylmethanol SCHEMBL10722183 0.79 ACSS2 (0.42) ACSS2KMT2APOLBSMN1; SMN2ALDH1A1

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
EP-3416991-A1 PROCESS FOR PREPARING HIGH-REACTIVITY ISOBUTENE HOMO- OR COPOLYMERS BASF SE (DE) 2018-12-26 EP disclosed
WO-2017140602-A1 PROCESS FOR PREPARING HIGH-REACTIVITY ISOBUTENE HOMO- OR COPOLYMERS BASF SE (DE) 2017-08-24 WO disclosed
EP-1447408-A1 Amino acid loaded trityl alcohol resins, method of production of amino acid loaded trityl alcohol resins and therapeutics produced therewith Rohm and Haas Company (US) 2004-08-18 EP disclosed
US-20040158037-A1 Amino acid loaded trityl alcohol resins, method of production of amino acid loaded trityl alcohol resins and biologically active substances and therapeutics produced therewith BOHLING JAMES CHARLES (US) 2004-08-12 US disclosed