SCHEMBL30355347

SCHEMBL30355347

CC(C)CCc1ccc2c(c1)OC=CCO2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CALM1 P0DP23 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 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
SCHEMBL18603987 1.00 TAAR1 (0.38) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL8294114 0.78 TAAR1 (0.61) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL11759974 0.77 ALOX5 (0.32) TAAR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL11757399 0.76 CYP3A4 (0.39) TAAR1SLC6A4CYP2D6ALDH1A1CALM1
SCHEMBL2995202 0.75 TAAR1 (0.45) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL9959103 0.74 TAAR1 (0.44) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL180328 0.73 TAAR1 (0.43) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL11759982 0.72 CYP3A4 (0.32) TAAR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL1092033 0.71 ALDH1A1 (0.37) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29529322 0.71 ALDH1A1 (0.37) KDM4EMEN1KMT2AALDH1A1HPGD

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-11639484-B2 Perfume compositions GIVAUDAN SA (CH) 2023-05-02 US disclosed