SCHEMBL30754367

SCHEMBL30754367

CC(=O)OC[C@@H]1CCC(C)=C[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
OPRM1 P35372 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TAS2R46 P59540 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
CTNNB1 P35222 1/20 0.31

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
SCHEMBL997368 1.00 NLRP3 (0.36) NLRP3OPRM1APOBEC3AAPOBEC3GTAS2R46
SCHEMBL14993444 0.89 ALDH1A1 (0.35) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL8743418 0.83 APOBEC3A (0.37) APOBEC3AAPOBEC3GTAS2R46ALDH1A1LMNA
SCHEMBL5930466 0.82 NLRP3 (0.40) NLRP3APOBEC3AAPOBEC3GALDH1A1LMNA
Hydrochloric Acid SCHEMBL8743395 0.80 APOBEC3A (0.45) APOBEC3AAPOBEC3G
SCHEMBL14993011 0.79 CES2 (0.33) APOBEC3AAPOBEC3GALDH1A1TSHRNPC1
SCHEMBL14423794 0.77 ALDH1A1 (0.36) OPRM1ALDH1A1LMNAPOLB
SCHEMBL295519 0.77 ALDH1A1 (0.36) OPRM1ALDH1A1LMNAPOLB
SCHEMBL22832664 0.75 ALDH1A1 (0.34) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL13849728 0.75 ALDH1A1 (0.40) ALDH1A1LMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP disclosed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP disclosed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO disclosed