Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL28573150

CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.O=S(=O)(OI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 12/20 0.38
▸ CA2 P00918 12/20 0.38
▸ MMP1 P03956 3/20 0.35
▸ MMP2 P08253 3/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP8 P22894 3/20 0.35
▸ MMP13 P45452 3/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA5A P35218 1/20 0.35
▸ HSD11B1 P28845 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B3 P37058 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL4606069 0.78 CA2 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL384050 0.77 HSD11B1 (0.47) CA1CA2HSD11B1ALDH1A1HSD17B3
SCHEMBL3139776 0.77 HSD11B1 (0.47) CA1CA2HSD11B1ALDH1A1HSD17B3
SCHEMBL384931 0.76 HSD11B1 (0.46) CA1CA2HSD11B1ALDH1A1HSD17B3
SCHEMBL3137403 0.76 HSD11B1 (0.46) CA1CA2HSD11B1ALDH1A1HSD17B3
SCHEMBL3135789 0.76 HSD11B1 (0.46) CA1CA2HSD11B1ALDH1A1HSD17B3
SCHEMBL3135858 0.76 HSD11B1 (0.46) CA1CA2HSD11B1ALDH1A1HSD17B3
SCHEMBL1760784 0.76 CA2 (0.48) CA1CA2MMP1MMP2MMP9
Tert-Butylbenzene SCHEMBL5187676 0.75 HSD11B1 (0.38) CA1CA2MMP1MMP2MMP9
Diphenylsulfane SCHEMBL2897548 0.75 CA1 (0.43) CA1CA2CA9HSD11B1ALDH1A1

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
CN-107073177-B Single-component hydrophilic lubricating coating 波士顿科学国际有限公司 2021-04-16 — — CN disclosed
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