SCHEMBL25844451

SCHEMBL25844451

COc1cc2c3c(c4c(c2cc1OC)-c1ccc(C)cc1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.33
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
HIF1A Q16665 1/20 0.32
PIK3CA P42336 1/20 0.32
LCK P06239 5/20 0.32
MAPT P10636 4/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 2/20 0.31
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 1/20 0.30
TTK P33981 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
SCHEMBL25844447 0.97 ALK (0.34) ALKSTK10SLKHIF1APIK3CA
SCHEMBL25844458 0.96 PIK3CA (0.32) ALKSTK10SLKPIK3CAMAPT
SCHEMBL25844449 0.94 MAPT (0.35) ALKHIF1APIK3CALCKMAPT
SCHEMBL25844452 0.92 ALK (0.33) ALKHIF1APIK3CAMAPTALDH1A1
SCHEMBL25844442 0.92 ALDH1A1 (0.33) ALKMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL29453309 0.92 STK10 (0.35) STK10SLKHIF1APIK3CAMAPT
SCHEMBL1045266 0.92 STK10 (0.35) STK10SLKHIF1APIK3CAMAPT
SCHEMBL3707410 0.92 HIF1A (0.34) STK10SLKHIF1APIK3CAMAPT
SCHEMBL25844698 0.91 MAPT (0.34) ALKMAPTALDH1A1LMNAKDM4E
SCHEMBL25844445 0.90 MAPT (0.33) MAPTALDH1A1KDM4EMEN1KMT2A

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-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed