SCHEMBL30442155

SCHEMBL30442155

CC(=O)O[C@@H]1C(C)(C)CCC[C@]12CC=C(C)C[C@H]2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.33
NR1I2 O75469 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD11B1 P28845 2/20 0.32
PLA2G2A P14555 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
TRPM2 O94759 1/20 0.31
CYP19A1 P11511 7/20 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
SCHEMBL21035809 1.00 CYP3A4 (0.34) CYP3A4MEN1LMNATP53MAPT
SCHEMBL5200052 1.00 CYP3A4 (0.34) CYP3A4MEN1LMNATP53MAPT
SCHEMBL5201767 0.81
SCHEMBL24475288 0.77 CYP3A4 (0.33) CYP3A4
SCHEMBL5199050 0.77 CYP3A4 (0.33) CYP3A4
SCHEMBL21035170 0.77 CYP3A4 (0.32) CYP3A4MEN1LMNATP53MAPT
SCHEMBL21001055 0.77 ALOX15 (0.31) CYP3A4MEN1LMNATP53MAPT
SCHEMBL5199683 0.75 ESR1 (0.32) ESR1NR1I2HSD11B1
SCHEMBL21001305 0.73 CYP3A4 (0.30) CYP3A4
SCHEMBL14982984 0.72 CYP3A4 (0.37) CYP3A4MEN1LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116763963-A Spiro compounds as malodor counteracting ingredients 弗门尼舍有限公司 2023-09-19 CN claimed
EP-4338761-A1 PERFUMING COMPOSITIONS Firmenich SA (CH) 2024-03-20 EP disclosed
CN-116807912-A Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-09-29 CN disclosed
CN-116763963-A Spiro compounds as malodor counteracting ingredients 弗门尼舍有限公司 2023-09-19 CN disclosed
EP-3541435-B1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH & CIE (CH) 2023-08-30 EP disclosed
CN-111432851-B Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-06-23 CN disclosed