SCHEMBL23925129

SCHEMBL23925129

C=CCCCC[C@@]1(C)CCC(C)(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CPT1A P50416 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23925072 1.00 TSHR (0.32) TSHRMEN1KMT2ACPT1AALDH1A1
SCHEMBL23925232 0.87 POLB (0.32)
SCHEMBL25296617 0.87 POLB (0.32)
SCHEMBL11411390 0.77 SIRT2 (0.37) CPT1A
SCHEMBL25297335 0.76
SCHEMBL23924917 0.76
SCHEMBL23925071 0.76
SCHEMBL25295381 0.76
SCHEMBL25295380 0.76
SCHEMBL23924912 0.76 POLB (0.33) CPT1A

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-4097199-A1 ODORANT COMPOUND Firmenich SA (CH) 2022-12-07 EP disclosed
WO-2021209393-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2021-10-21 WO disclosed