SCHEMBL30883182

SCHEMBL30883182

C=CC(C)(CCC=C(C)CCC=C(C)C)OC(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.55
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
FNTA P49354 4/20 0.40
FNTB P49356 4/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
UGT1A1 P22309 1/20 0.39
GGPS1 O95749 1/20 0.38
SQLE Q14534 1/20 0.38

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
SCHEMBL20839197 0.92 ALOX15 (0.57) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL1870227 0.92 ALOX15 (0.47) ALOX15ALDH1A1CYP3A4
SCHEMBL538489 0.92 ALOX15 (0.47) ALOX15ALDH1A1CYP3A4
Acetic Acid SCHEMBL29127459 0.89 ALOX15 (0.45) ALOX15CYP3A4
SCHEMBL8466948 0.88 ALOX15 (0.54) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL254761 0.88 ALOX15 (0.54) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL9017126 0.87 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL22372388 0.87 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL3506100 0.87 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL22372389 0.87 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB

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-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed