SCHEMBL8600812

SCHEMBL8600812

O=C(O)C(C/C1=C/CCCCCCCC1)(/C1=C/CCCCCCCC1)/C1=C/CCCCCCCC1.O=CC1=CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
HPGD P15428 3/20 0.32
LMNA P02545 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 5/20 0.32
EPHX1 P07099 2/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL11134470 0.89 TAAR1 (0.38) TAAR1HPGDLMNANPC1RAB9A
SCHEMBL153483 0.89 TAAR1 (0.38) TAAR1HPGDLMNANPC1RAB9A
SCHEMBL634874 0.89 TAAR1 (0.38) TAAR1HPGDLMNANPC1RAB9A
Geraniol SCHEMBL28991346 0.74 MEN1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
Propionic Acid SCHEMBL31387069 0.73 FFAR3 (0.36) TAAR1HPGDLMNANPC1RAB9A
SCHEMBL2194008 0.72 HDAC4 (0.34)
SCHEMBL11952530 0.72 HDAC4 (0.34)
SCHEMBL4578689 0.72 HDAC4 (0.34)
SCHEMBL17653495 0.72 HDAC4 (0.34)
SCHEMBL17653494 0.72 HDAC4 (0.34)

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-0821723-A1 BLEACHING COMPOSITIONS WITH SELECTED PERFUMES FOR MASKING BLEACH ODOR THE PROCTER & GAMBLE COMPANY (US) 1998-02-04 EP disclosed
WO-1996031590-A1 BLEACHING COMPOSITIONS WITH SELECTED PERFUMES FOR MASKING BLEACH ODOR THE PROCTER & GAMBLE COMPANY (US) 1996-10-10 WO disclosed