SCHEMBL11736517

SCHEMBL11736517

CC(C)CCOCCCCOCCCCBr

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL11584374 1.00 ALDH1A1 (0.34) ALDH1A1TDP1CA12CA1CA2
SCHEMBL11734794 0.98 ALDH1A1 (0.33) ALDH1A1TDP1CA12CA1CA2
SCHEMBL11732736 0.98 ALDH1A1 (0.33) ALDH1A1TDP1CA12CA1CA2
SCHEMBL9323872 0.88 LMNA (0.39) MAPT
SCHEMBL31086365 0.87 ALDH1A1 (0.42) ALDH1A1TDP1CA12CA1CA2
SCHEMBL2525583 0.86 LMNA (0.48) —
SCHEMBL31086378 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CA12CA1CA2
SCHEMBL9945701 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CA12CA1CA2
SCHEMBL25494759 0.82 — —
SCHEMBL13684772 0.82 LMNA (0.46) ALDH1A1TDP1CA12CA1CA2

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-4025641-A INSECTICIDES, ACARICIDES SANDOZ LTD. (CH) 1977-05-24 — — US disclosed
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