SCHEMBL7645489

SCHEMBL7645489

CC(CCCCc1ccccc1)OC(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
TRPA1 O75762 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
LTB4R Q15722 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1837086 0.87 NAAA (0.56) NAAAALDH1A1KMT2AHPGDTRPA1
SCHEMBL1837064 0.86 NAAA (0.55) NAAAALDH1A1KMT2AHPGDTRPA1
SCHEMBL1834936 0.86 NAAA (0.55) NAAAALDH1A1KMT2AHPGDTRPA1
SCHEMBL1836206 0.86 NAAA (0.55) NAAAALDH1A1KMT2AHPGDTRPA1
SCHEMBL1836532 0.86 NAAA (0.55) NAAAALDH1A1KMT2AHPGDTRPA1
SCHEMBL18661867 0.84 NAAA (0.54) NAAAALDH1A1KMT2AHPGDTRPA1
SCHEMBL16672635 0.83 NAAA (0.53) NAAAALDH1A1KMT2AHPGDTRPA1
SCHEMBL1834753 0.82 NAAA (0.51) NAAAALDH1A1KMT2AHPGDCYP2D6
SCHEMBL6682726 0.81 NAAA (0.50) NAAAALDH1A1KMT2AHPGDCYP2D6
SCHEMBL27500960 0.81 NAAA (0.51) NAAAALDH1A1KMT2AHPGDTRPA1

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-6479682-B1 Compounds having protected hydroxy groups GIVAUDAN SA (CH) 2002-11-12 US disclosed