SCHEMBL11732736

SCHEMBL11732736

CC(C)CCOCCCCOCCCCCCBr

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL11734794 1.00 ALDH1A1 (0.33) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL11584374 0.98 ALDH1A1 (0.34) ALDH1A1MAPTTDP1CA12CA1
SCHEMBL11736517 0.98 ALDH1A1 (0.34) ALDH1A1MAPTTDP1CA12CA1
SCHEMBL9323872 0.91 LMNA (0.39) MEN1THRBHTTKMT2AMAPT
SCHEMBL9945701 0.88 ALDH1A1 (0.40) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL31086378 0.88 ALDH1A1 (0.40) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL31086365 0.85 ALDH1A1 (0.42) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL2525583 0.84 LMNA (0.48) MEN1KMT2A
SCHEMBL15199431 0.83 LMNA (0.43) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL25494759 0.80 — —

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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