SCHEMBL7526780

SCHEMBL7526780

CC1=C(CCC(C)(C)C=O)C(C)(C)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.41
▸ RARG P13631 2/20 0.41
▸ RARA P10276 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TRPA1 O75762 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ HAO1 Q9UJM8 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL6790258 0.84 RARB (0.39) RARBRARGRARARXRAALDH1A1
SCHEMBL14377497 0.79 ALDH1A1 (0.45) RARBRARGRARARXRAALDH1A1
SCHEMBL1105235 0.77 MAPT (0.41) RARBRARGRARARXRAALDH1A1
SCHEMBL9271635 0.77 RARB (0.45) RARBRARGRARARXRAALDH1A1
SCHEMBL17706525 0.76 ALDH1A1 (0.40) RARBRARGRARARXRAALDH1A1
SCHEMBL14284324 0.75 ALDH1A1 (0.39) RARBRARGRARARXRAALDH1A1
SCHEMBL3156466 0.74 RARB (0.43) RARBRARGRARARXRAALDH1A1
SCHEMBL14818310 0.74 ALDH1A1 (0.36) RARBRARGRARARXRAALDH1A1
SCHEMBL9273110 0.73 RARB (0.42) RARBRARGRARARXRAALDH1A1
SCHEMBL881427 0.73 CYP1A2 (0.41) RARBRARGRARARXRAALDH1A1

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-1171556-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 — — EP disclosed
WO-2000063329-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2000-10-26 — — WO disclosed
Send feedback