SCHEMBL24934006

SCHEMBL24934006

NC(=O)CC[C@@H](C(=O)O)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
CPN1 P15169 6/20 0.42
CPB2 Q96IY4 6/20 0.42
EPHX1 P07099 3/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
ALOX5 P09917 1/20 0.33
DPP4 P27487 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
SCHEMBL27542152 0.98 EPHX1 (0.44) KMT2AALOX15BLMPMP22CPN1
SCHEMBL22595358 0.92 ALOX15 (0.48) KMT2AALOX15BLMPMP22CPN1
SCHEMBL28572076 0.82 ALDH1A1 (0.44) CPN1CPB2EPHX1CYP2C9CYP2C19
SCHEMBL13285726 0.78 ALOX15 (0.42) KMT2AALOX15BLMPMP22CPN1
SCHEMBL29616703 0.78 KMT2A (0.40) KMT2AALOX15BLMPMP22CPN1
SCHEMBL9816369 0.77 CYP2C9 (0.43) CPN1CPB2EPHX1CYP2C9CYP2C19
SCHEMBL4978863 0.76 SMN1; SMN2 (0.46) CPN1CPB2EPHX1CYP2C9CYP2C19
SCHEMBL8463896 0.76 ALDH1A1 (0.49) KMT2AALOX15BLMPMP22EPHX1
SCHEMBL2403226 0.76 ALDH1A1 (0.46) CPN1CPB2EPHX1CYP2C9CYP2C19
SCHEMBL27501949 0.76 ALDH1A1 (0.44) BLMPMP22CPN1CPB2EPHX1

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-20230032464-A1 COMPOSITION COMPRISING SPORES AND PRO-PERFUME MATERIALS THE PROCTER & GAMBLE COMPANY 2023-02-02 US disclosed