SCHEMBL25844124

SCHEMBL25844124

Cc1ccc2c(c1)C(C)(C)c1c3c(c4ccccc4c1-2)OC(c1ccc(N2CCOCC2)cc1)(c1ccc2c(ccc4ccccc42)c1)C=C3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
POLB P06746 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
PTK2B Q14289 1/20 0.30
PIK3CD O00329 2/20 0.30
PIK3CA P42336 2/20 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
SCHEMBL25844125 0.96 MAPT (0.33) ALKMAPTMEN1KMT2ALMNA
SCHEMBL25844115 0.95 ALK (0.33) ALKMAPTMEN1KMT2ALMNA
SCHEMBL25844088 0.95 ALK (0.31) ALK
SCHEMBL25844134 0.93 ALK (0.32) ALKMAPTMEN1KMT2ALMNA
SCHEMBL25844147 0.93 ALK (0.36) ALKMAPTMEN1KMT2ALMNA
SCHEMBL25844128 0.93 ALK (0.32) ALKMAPTMEN1KMT2ALMNA
SCHEMBL25604297 0.92 CYP1A1 (0.34) MAPTMEN1KMT2ACYP1A1CYP1A2
SCHEMBL25844119 0.92 ALK (0.34) ALKMAPTMEN1KMT2ALMNA
SCHEMBL25844138 0.91 MAPT (0.35) ALKMAPTMEN1KMT2ALMNA
SCHEMBL25844091 0.91

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