SCHEMBL18965786

SCHEMBL18965786

COCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 5/20 0.45
MAPT P10636 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL16775049 0.93 MAPT (0.49) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL26602072 0.91 NPC1 (0.57) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL19751189 0.90 KMT2A (0.47) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL21478332 0.88 L3MBTL1 (0.46) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL20433799 0.87 NPC1 (0.57) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL1531820 0.86 NPC1 (0.48) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL22341181 0.86 NPC1 (0.61) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL224296 0.86 NPC1 (0.48) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL22435487 0.86 LMNA (0.48) LMNAKMT2ANPC1MAPTNFKB1
SCHEMBL3262827 0.86 NPC1 (0.48) LMNAKMT2ANPC1MAPTNFKB1

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
EP-2655478-B1 PHOTOACTIVE POLYMER MATERIALS ROLIC AG (CH) 2017-06-14 EP disclosed