SCHEMBL25801432

SCHEMBL25801432

CC(C)CC1CCNC(CC(C)C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.42
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLG P00747 1/20 0.35
MME P08473 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 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
SCHEMBL6325480 0.75 PIK3CD (0.38) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL29322851 0.74 PRCP (0.36) PRCPLMNACYP3A4GAACYP2C9
SCHEMBL24073060 0.73 PRCP (0.35) PRCPLMNACYP3A4GAACYP2C9
SCHEMBL13785217 0.71 PRCP (0.50) PRCPLMNACYP3A4GAACYP2C9
SCHEMBL6732243 0.71 AR (0.44) MMEAR
SCHEMBL10153215 0.69 PRCP (0.41) PRCPLMNACYP3A4CYP2C19MEN1
SCHEMBL1956550 0.69 PRCP (0.41) PRCPLMNACYP3A4CYP2C19MEN1
SCHEMBL24936334 0.68 MME (0.34) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL12466963 0.67 PIK3CD (0.49) PRCPLMNACYP3A4GAACYP2C9
SCHEMBL10842332 0.67 GHSR (0.42) PRCPLMNACYP3A4GAACYP2C9

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-20230217975-A1 PERFUME COMPOSITION AJINOMOTO CO., INC. (JP) 2023-07-13 US disclosed