SCHEMBL21032870

SCHEMBL21032870

CC(=O)NC(C)C1CC(C)C23CCC(CC12)C3

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21001007 0.78
SCHEMBL21001009 0.64
SCHEMBL24105949 0.63 HPGD (0.55) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL19658436 0.62 HPGD (0.67) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL21001015 0.62 ALOX15 (0.36) ALDH1A1LMNA
SCHEMBL21001010 0.61 ALOX15 (0.36)
SCHEMBL21001056 0.61
SCHEMBL8855633 0.60
SCHEMBL22627289 0.59 CYP3A4 (0.32)
SCHEMBL21001012 0.59 CYP3A4 (0.32)

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
WO-2019101813-A1 MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO disclosed