SCHEMBL26676737

SCHEMBL26676737

COc1cccc(OC)c1C1=C2C=CC(=N2)C(c2c(OC)cccc2OC)=C2C=CC(=N2)C(c2c(OC)cccc2OC)=C2C=CC(=N2)C(c2c(OC)cccc2OC)=C2C=CC1=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.41
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5011965 0.91 FABP4 (0.42) TOP1CA1CA2CA7CA9
SCHEMBL5016486 0.91 TOP1 (0.35) TOP1CA1CA2CA7CA9
SCHEMBL5016673 0.91 FABP4 (0.42) TOP1CA1CA2CA7CA9
SCHEMBL4265254 0.80 CYP1A2 (0.41) CA1CA2CA7CA9CA12
SCHEMBL10570890 0.80 ALDH1A1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL433808 0.70 DYRK1A (0.49) SMN1; SMN2MAPTLMNAKDM4ETP53
SCHEMBL5015257 0.70 CYP1A1 (0.39) SMN1; SMN2MAPTALDH1A1KDM4ETP53
SCHEMBL28148154 0.70 CA1 (0.65) TOP1CA1CA2CA7CA9
SCHEMBL1680192 0.68 ME2 (0.43) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL5534014 0.67 ME2 (0.42) CA1CA2CA7CA9CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023228055-A1 UV/HEVL-FILTERING CONTACT LENSES ALCON INC. (CH) 2023-11-30 — — WO disclosed
WO-2023228054-A1 METHOD FOR MAKING HEVL-FILTERING CONTACT LENSES ALCON INC. (CH) 2023-11-30 — — WO disclosed
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