SCHEMBL21001041

SCHEMBL21001041

CC(=O)OCC(C)(C)CC1C(C)C=C(C)CC1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.34
ALOX15 P16050 1/20 0.33
CTNNB1 P35222 1/20 0.33
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
AR P10275 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
SCHEMBL11236136 0.80 APOBEC3A (0.61) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL21001088 0.72
SCHEMBL295784 0.67 APOBEC3A (0.51) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL11238961 0.66 APOBEC3A (0.46) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL14627793 0.64 ALDH1A1 (0.48) ALDH1A1LMNAALOX15PGR
SCHEMBL6790182 0.62 ALDH1A1 (0.48) ALDH1A1LMNAPGR
SCHEMBL15129984 0.62 APOBEC3A (0.46) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL20610587 0.62 APOBEC3A (0.42) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL16210192 0.61 APOBEC3A (0.45) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL20825380 0.60 ALDH1A1 (0.43) ALDH1A1LMNAPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP claimed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO claimed
EP-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP disclosed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO disclosed