SCHEMBL18685754

SCHEMBL18685754

C=C/C=C\c1ccc2oc3ccc4ccccc4c3c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17067963 0.82 CYP2A6 (0.47) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL24086801 0.81 HNF4A (0.41) HNF4AMAPTMEN1KMT2AL3MBTL1
SCHEMBL24253143 0.80 HNF4A (0.34) HNF4AMAPTMEN1KMT2AL3MBTL1
SCHEMBL25615240 0.80 HNF4A (0.47) HNF4AMAPTMEN1KMT2AL3MBTL1
SCHEMBL24153697 0.80 TYMS (0.40) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL22062649 0.75 MAOA (0.33) HNF4AMAPTMEN1KMT2ARAB9A
SCHEMBL22908095 0.74 L3MBTL1 (0.42) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL23759582 0.74 RAB9A (0.38) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL18907194 0.73 KDM4E (0.38) HNF4AMAPTMEN1KMT2AL3MBTL1
SCHEMBL25898839 0.73 ALDH1A1 (0.35) L3MBTL1HPGDCYP1A2CYP3A4ALDH1A1

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-3147958-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING BORANE COMPOUNDS Novaled GmbH (DE) 2017-03-29 EP disclosed