SCHEMBL11839838

SCHEMBL11839838

C#CCOC(=O)C=CC=CCC(C)CCC=C(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.36
▸ USP2 O75604 1/20 0.34
▸ ZDHHC20 Q5W0Z9 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GGPS1 O95749 2/20 0.30
▸ FDPS P14324 2/20 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
SCHEMBL11839821 1.00 ALOX15 (0.43) ALOX15ALDH1A1USP2ZDHHC20NFE2L2
SCHEMBL11756161 0.84 ALDH1A1 (0.42) ALOX15ALDH1A1USP2ZDHHC20TSHR
SCHEMBL11756165 0.84 ALDH1A1 (0.42) ALOX15ALDH1A1USP2ZDHHC20TSHR
SCHEMBL11846853 0.82 ZDHHC20 (0.35) ZDHHC20
SCHEMBL11845229 0.82 ZDHHC20 (0.38) ALDH1A1ZDHHC20TSHR
SCHEMBL11845237 0.82 ZDHHC20 (0.38) ALDH1A1ZDHHC20TSHR
SCHEMBL11846847 0.82 ZDHHC20 (0.35) ZDHHC20
SCHEMBL11842673 0.81 ALOX15 (0.45) ALOX15ALDH1A1USP2NFE2L2TSHR
SCHEMBL11849438 0.81 ALOX15 (0.45) ALOX15ALDH1A1USP2NFE2L2TSHR
SCHEMBL11840117 0.80 CYP3A4 (0.38) ALDH1A1ZDHHC20TSHR

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
US-3966780-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-06-29 — — US claimed
US-3966780-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-06-29 — — US disclosed
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