SCHEMBL22073083

SCHEMBL22073083

COc1ccc(-c2ccc(-c3ccc(OC)cc3)c(C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
ABL1 P00519 2/20 0.50
ABCB1 P08183 2/20 0.50
BCR P11274 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALKBH3 Q96Q83 1/20 0.46

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
SCHEMBL13463285 0.94 ACHE (0.56) DYRK1AABL1ABCB1BCRSMN1; SMN2
SCHEMBL14149752 0.93 BACE1 (0.56) DYRK1AABL1ABCB1BCRSMN1; SMN2
SCHEMBL679848 0.89 SMN1; SMN2 (0.55) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL12345146 0.86 ACHE (0.54) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL2097981 0.83 DYRK1A (0.55) DYRK1AABL1ABCB1BCRSMN1; SMN2
SCHEMBL24181236 0.82 ESR2 (0.62) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL21387048 0.82 ABL1 (0.46) ABL1ABCB1BCRSMN1; SMN2KDM4E
SCHEMBL13550581 0.82 TDP1 (0.54) DYRK1AABL1ABCB1BCRSMN1; SMN2
SCHEMBL11691477 0.82 SYK (0.48) ABL1ABCB1BCRSMN1; SMN2NPC1
SCHEMBL13614292 0.82 ABL1 (0.46) ABL1ABCB1BCRSMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020116555-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT DIC株式会社 2020-06-11 WO disclosed
WO-2020115936-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT DIC株式会社 2020-06-11 WO disclosed