SCHEMBL30777601

SCHEMBL30777601

CC(C)c1cc(C(C)C)c(-c2cccc(O)c2I)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.46
GABRB2 P47870 4/20 0.46
ALOX12 P18054 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
TYR P14679 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MDM4 O15151 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CA5A P35218 1/20 0.42
HDAC4 P56524 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL7715672 0.84 GABRA1 (0.50) GABRA1GABRB2ALOX12CA1CA2
SCHEMBL16050488 0.82 GABRA1 (0.52) GABRA1GABRB2ALOX12CA1CA2
SCHEMBL28126975 0.81 GABRA1 (0.50) GABRA1GABRB2ALOX12CA1CA2
SCHEMBL3631589 0.80 HDAC4 (0.44) CA1CA2CYP3A4HPGDALDH1A1
SCHEMBL12994012 0.79 GABRA1 (0.48) GABRA1GABRB2ALOX12CA1CA2
SCHEMBL366603 0.77 GABRA1 (0.37) GABRA1GABRB2CA1CA2CA9
SCHEMBL30317598 0.75 ROCK2 (0.39) GABRA1GABRB2ALOX12CA1CA2
SCHEMBL7124077 0.75 ROCK2 (0.39) GABRA1GABRB2ALOX12CA1CA2
SCHEMBL16050486 0.75 FABP3 (0.41) GABRA1GABRB2ALOX12CA1CA2
SCHEMBL8705685 0.74 GABRA1 (0.50) GABRA1GABRB2ALOX12TYRALDH1A1

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-2025067247-A1 PREPARATION METHOD FOR ON-DNA AROMATIC COMPOUND, AND APPLICATION OF PREPARATION METHOD 深圳晶泰科技有限公司 2025-04-03 WO disclosed
CN-117364252-A Preparation method and application of On-DNA aromatic compound 深圳晶泰科技有限公司 2024-01-09 CN disclosed