SCHEMBL5728092

SCHEMBL5728092

CCC=CCCOC(=O)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 5/20 0.53
CYP19A1 P11511 4/20 0.53
PPARG P37231 3/20 0.53
OXER1 Q8TDS5 3/20 0.53
RXRA P19793 2/20 0.53
FFAR1 O14842 2/20 0.53
PTGS1 P23219 4/20 0.50
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
KMT2A Q03164 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
NR1I2 O75469 2/20 0.49
PTGS2 P35354 2/20 0.49
PGR P06401 1/20 0.49
PDE4D Q08499 1/20 0.49
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47

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
SCHEMBL5728091 1.00 ALDH1A1 (0.53) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL16568217 0.92 ADORA3 (0.55) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL22832723 0.92 ADORA3 (0.55) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL22832722 0.92 ADORA3 (0.55) ALDH1A1MAPTCYP19A1PPARGOXER1
Butyric Acid SCHEMBL1866742 0.89 ALDH1A1 (0.50) ALDH1A1MAPTCYP19A1PPARGOXER1
Butyric Acid SCHEMBL1866744 0.89 ALDH1A1 (0.50) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL22390233 0.85 ADORA3 (0.49) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL13122914 0.85 ADORA3 (0.67) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL13122830 0.85 ADORA3 (0.67) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL309027 0.85 ADORA3 (0.51) ALDH1A1MAPTCYP19A1PPARGOXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3990606-A1 PERFUMED CONSUMER PRODUCTS Firmenich SA (CH) 2022-05-04 EP disclosed
CN-114096651-A Perfumed consumer product 弗门尼舍有限公司 2022-02-25 CN disclosed
WO-2020260598-A1 PERFUMED CONSUMER PRODUCTS FIRMENICH SA (CH) 2020-12-30 WO disclosed
CN-100389781-C Use of pharmacy for feline ginseng volatile oil UNIV ZHEJIANG (CN) 2008-05-28 CN disclosed
CN-1895305-A Use of pharmacy for feline ginseng volatile oil UNIV ZHEJIANG (CN) 2007-01-17 CN disclosed
EP-0952142-B1 Compounds with protected hydroxy groups GIVAUDAN SA (CH) 2006-10-18 EP disclosed
EP-0887336-B1 Precursor compounds GIVAUDAN SA (CH) 2004-01-07 EP disclosed
US-6627763-B2 As precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents GIVAUDAN SA 2003-09-30 US disclosed
US-20020193269-A1 Compounds having protected hydroxy groups GIVAUDAN SA, A SWITZERLAND CORPORATION 2002-12-19 US disclosed
US-6479682-B1 Compounds having protected hydroxy groups GIVAUDAN SA (CH) 2002-11-12 US disclosed
US-6437150-B1 WHEN ACTIVATED, THE ESTERS, CARBONATES, OR CARBAMATES ARE CLEAVED TO FORM ONE OR MORE LACTONES AND ORGANOLEPTICS SUCH AS FRAGRANCES, OR MASKING AGENTS, OR ANTIMICROBIAL AGENTS; STABLE UNDER TRANSPORT AND STORAGE CONDITIONS GIVAUDAN SA (CH) 2002-08-20 US disclosed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed