SCHEMBL29664343

SCHEMBL29664343

COc1cc2c(cc1OC)C(C)(C)c1c3c(c4ccccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PIK3CA P42336 1/20 0.33
TTK P33981 1/20 0.33
CHEK1 O14757 1/20 0.33
PTK2 Q05397 1/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL9929184 1.00 HIF1A (0.34) HIF1ASTK10SLKPDE7APDE3A
SCHEMBL3707410 0.95 HIF1A (0.34) HIF1ASTK10SLKPDE7APDE3A
SCHEMBL1711064 0.90 ALDH1A1 (0.36) STK10SLKPIK3CAMAPTALDH1A1
SCHEMBL1711076 0.89 ALK (0.36) PIK3CAMAPTALDH1A1KDM4EHPGD
SCHEMBL29664127 0.89 MAPT (0.36) HIF1ASTK10SLKPIK3CATTK
SCHEMBL9929793 0.89 MAPT (0.36) HIF1ASTK10SLKPIK3CATTK
SCHEMBL1045266 0.89 STK10 (0.35) HIF1ASTK10SLKPIK3CATTK
SCHEMBL29453309 0.89 STK10 (0.35) HIF1ASTK10SLKPIK3CATTK
SCHEMBL25844451 0.87 ALK (0.33) HIF1ASTK10SLKPIK3CATTK
SCHEMBL3155860 0.87 ALDH1A1 (0.33) HIF1APDE3APIK3CAMAPTALDH1A1

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
CN-107253943-B Photochromic compounds and compositions 光学转变公司 2022-05-17 CN disclosed