SCHEMBL9328657

SCHEMBL9328657

CCN(CC)CC1=C(C)CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
RARA P10276 1/20 0.35
RXRA P19793 1/20 0.35
CYP1A2 P05177 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HAO1 Q9UJM8 1/20 0.32
TRPA1 O75762 2/20 0.32
ALOX5 P09917 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9328773 0.80 CYP1A2 (0.36) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL19928616 0.78 ALDH1A1 (0.42) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL5360647 0.76 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL31502587 0.73 ALDH1A1 (0.46) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL19227398 0.72 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL1634590 0.72 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL11794721 0.72 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL13779270 0.72 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL13570117 0.72 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1RARB
SCHEMBL4666701 0.72 ALDH1A1 (0.44) ALDH1A1MAPTGAANPSR1RARB

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
EP-0461972-B1 Process for the conversion of N-tertiary amine oxides into aldehydes RHONE POULENC NUTRITION ANIMAL (FR) 1994-03-30 EP claimed