SCHEMBL28511759

SCHEMBL28511759

CCCCCCCCCCCC[CH]CCCOS(=O)(=O)c1ccccc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 5/20 0.46
▸ EPHX2 P34913 2/20 0.41
▸ ABCC1 P33527 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA9 Q16790 6/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA3 P07451 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA6 P23280 2/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ CA5B Q9Y2D0 2/20 0.37

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
SCHEMBL11396722 0.90 EPHX2 (0.50) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL11396726 0.90 EPHX2 (0.50) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL11395662 0.90 EPHX2 (0.50) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL11395665 0.90 EPHX2 (0.50) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL7633584 0.88 ABCB1 (0.49) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL2181073 0.88 ABCB1 (0.49) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL9198569 0.88 ABCB1 (0.49) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL18139084 0.88 ABCB1 (0.49) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL11114665 0.88 ABCB1 (0.49) ABCB1EPHX2ABCC1ALDH1A1TSHR
SCHEMBL18141349 0.88 ABCB1 (0.49) ABCB1EPHX2ABCC1ALDH1A1TSHR

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
CN-112188660-B Preparation method of water-based graphene-based electrothermal film 兰州大学 2021-07-20 — — CN disclosed
CN-112188660-A Water-based graphene-based electrothermal film and preparation method thereof 兰州大学 2021-01-05 — — CN disclosed
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