Sugi Predict

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SCHEMBL4419264

SCHEMBL4419264

CC1=CC(C)C(C=O)C(C)C1.CC1=CC(C)C(C=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ APOBEC3A P31941 2/20 0.30
▸ APOBEC3G Q9HC16 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
SCHEMBL22397290 0.88 ALDH1A1 (0.34) ALDH1A1LMNAPOLBKDM4EGLA
SCHEMBL24496767 0.85 ALDH1A1 (0.40) ALDH1A1LMNAPOLBKDM4EGLA
SCHEMBL456066 0.85 ALDH1A1 (0.40) ALDH1A1LMNAPOLBKDM4EGLA
SCHEMBL21581849 0.85 ALDH1A1 (0.32) ALDH1A1LMNAPOLB
SCHEMBL21875774 0.85 ALDH1A1 (0.32) ALDH1A1LMNAPOLB
SCHEMBL115614 0.85 ALDH1A1 (0.32) ALDH1A1LMNAPOLB
SCHEMBL21175066 0.85 ALDH1A1 (0.32) ALDH1A1LMNAPOLB
SCHEMBL19924611 0.85 ALDH1A1 (0.32) ALDH1A1LMNAPOLB
SCHEMBL314360 0.81 ALDH1A1 (0.33) ALDH1A1LMNAPOLBKDM4EGLA
Crotonaldehyde SCHEMBL6242783 0.75 TRPA1 (0.35) —

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
EP-2032516-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2009-03-11 — — EP disclosed
WO-2007143873-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-12-21 — — WO disclosed