SCHEMBL3795302

SCHEMBL3795302

C[C@H]1CC[C@]2(CCC(=O)O2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
PTGS2 P35354 1/20 0.33
HSD11B1 P28845 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1357905 1.00 CA1 (0.35) CA1CA9LMNATSHRPTGS2
SCHEMBL10988832 1.00 CA1 (0.35) CA1CA9LMNATSHRPTGS2
SCHEMBL17793402 0.79
SCHEMBL19200578 0.79 HSD11B1 (0.43) LMNATSHRHSD11B1
SCHEMBL2186874 0.79 KDM4E (0.36) LMNATSHRHSD11B1ALDH1A1HPGD
SCHEMBL14836424 0.79 HSD11B1 (0.33) LMNATSHRHSD11B1
SCHEMBL14836255 0.79 HSD11B1 (0.33) LMNATSHRHSD11B1
SCHEMBL3330226 0.79 ATM (0.47) LMNATSHRHSD11B1CYP1A2CYP2C9
SCHEMBL4467722 0.79 KDM4E (0.36) LMNATSHRHSD11B1ALDH1A1HPGD
SCHEMBL11000682 0.79 KDM4E (0.36) LMNATSHRHSD11B1ALDH1A1HPGD

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
US-4519944-A Spirolactones as odorants GIVAUDAN CORPORATION (US) 1985-05-28 US claimed
EP-3325707-A1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF Agilex Flavors & fragrances, Inc. (US) 2018-05-30 EP disclosed
WO-2017015173-A1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF AGILEX FLAVORS & FRAGRANCES, INC. (US) 2017-01-26 WO disclosed
US-20100087351-A1 Perfumes for Linear Citrus Release in Rinse-Off Systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-04-08 US disclosed