SCHEMBL24178262

SCHEMBL24178262

C=C(C)c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.53
HTR2B P41595 1/20 0.51
AHR P35869 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAOA P21397 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL24177846 0.89 NPC1 (0.55) TTRAHRMEN1KMT2AMAPT
SCHEMBL23869908 0.82 TTR (0.53) TTRHTR2BAHRMEN1KMT2A
SCHEMBL7110522 0.82 NPC1 (0.69) TTRHTR2BAHRMEN1KMT2A
SCHEMBL26323256 0.81 MAPT (0.43) TTRAHRMEN1KMT2AMAPT
SCHEMBL24285613 0.81 TTR (0.55) TTRHTR2BAHRMEN1KMT2A
SCHEMBL23229541 0.81 TTR (0.51) TTRHTR2BAHRMEN1KMT2A
SCHEMBL16727670 0.80 NPC1 (0.75) TTRMEN1KMT2AMAPTKDM4E
SCHEMBL26304441 0.79 NPC1 (0.65) TTRHTR2BAHRMEN1KMT2A
SCHEMBL9764890 0.79 CASP3 (0.54) TTRHTR2BAHRMEN1KMT2A
SCHEMBL24303405 0.79 AHR (0.47) TTRHTR2BAHRMEN1KMT2A

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
US-20220006019-A1 A PLURALITY OF LIGHT-EMITTING MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2022-01-06 US disclosed