SCHEMBL25844438

SCHEMBL25844438

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACHE P22303 1/20 0.31
IDO1 P14902 2/20 0.30
CES2 O00748 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
SCHEMBL25844440 0.96 MAPT (0.33) MEN1KMT2ACES2
SCHEMBL15458340 0.95 CA12 (0.30) CA12CA1CA7CA9CA13
SCHEMBL30708924 0.93 KDM4E (0.34) CA12CA1CA7CA9CA13
SCHEMBL3705699 0.93 KDM4E (0.34) CA12CA1CA7CA9CA13
SCHEMBL25844582 0.93 ALKBH3 (0.33) KDM4EMEN1KMT2A
SCHEMBL30476316 0.92 KDM4E (0.32) CA12CA1CA7CA9CA13
SCHEMBL15763098 0.92 PDCD1 (0.31)
SCHEMBL25844437 0.91 CA12 (0.32) CA12CA1CA7CA9CA13
SCHEMBL25844695 0.91 KDM4E (0.35) CA12CA1CA7CA9CA13
SCHEMBL25836099 0.91 KDM4E (0.31) CA12CA1CA7CA9CA13

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