SCHEMBL25844134

SCHEMBL25844134

Cc1ccc2c(c1)C(C)(C)c1c3c(c4ccccc4c1-2)OC(c1ccc(N2CCOCC2)cc1)(c1ccc2c(c1)C(C)(C)c1c-2ccc2ccccc12)C=C3

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
PTK2B Q14289 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 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
SCHEMBL25844105 0.95
SCHEMBL25844125 0.94 MAPT (0.33) ALKMEN1MAPTKMT2ALMNA
SCHEMBL25604299 0.94 PDK2 (0.34) MEN1MAPTKMT2ACYP1A1CYP1A2
SCHEMBL25844128 0.93 ALK (0.32) ALKMEN1MAPTKMT2ALMNA
SCHEMBL25844124 0.93 ALK (0.34) ALKMEN1MAPTKMT2ALMNA
SCHEMBL25844115 0.93 ALK (0.33) ALKMEN1MAPTKMT2ALMNA
SCHEMBL25844130 0.93 MEN1 (0.33) ALKMEN1MAPTKMT2ALMNA
SCHEMBL25844147 0.92 ALK (0.36) ALKMEN1MAPTKMT2ALMNA
SCHEMBL25844116 0.92 PDK2 (0.34) ALKMEN1MAPTKMT2ALMNA
SCHEMBL25844138 0.91 MAPT (0.35) ALKMEN1MAPTKMT2ALMNA

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