SCHEMBL23944685

SCHEMBL23944685

CC(C)(O)C(C)(C)OBc1cccc2oc3cc4ncccc4cc3c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
GRM4 Q14833 2/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HTT P42858 2/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 3/20 0.30
MEN1 O00255 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL23943962 0.97 PDGFRB (0.36) PDGFRBPDGFRAGRM4CYP1A1CYP1B1
SCHEMBL23944310 0.88 PDGFRB (0.34) PDGFRBPDGFRA
SCHEMBL27255262 0.86 KMT2A (0.32) ALDH1A1MEN1KMT2A
SCHEMBL23944614 0.85 PDGFRB (0.33) PDGFRBPDGFRA
SCHEMBL23944612 0.83 CLK1 (0.33) GRM4
SCHEMBL23944682 0.83 CLK1 (0.33) GRM4
SCHEMBL23946603 0.82 KDM4E (0.40) ALDH1A1
SCHEMBL23944018 0.81 IDO1 (0.33) ALDH1A1KMT2A
SCHEMBL24033489 0.81 ALDH1A1 (0.33) ALDH1A1CASP1CASP7
SCHEMBL25466360 0.80 CYP1A2 (0.39) CYP1A1CYP1B1CYP1A2

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
WO-2021210910-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-10-21 WO disclosed