SCHEMBL1716620

SCHEMBL1716620

CC(C)CCC(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
CYP2C19 P33261 1/20 0.52
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
APAF1 O14727 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
TBXAS1 P24557 2/20 0.43
ALOX5 P09917 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL30371912 0.89 CYP2C19 (0.61) POLBCYP2C19SMN1; SMN2CYP2D6SRC
SCHEMBL13619700 0.86 POLB (0.51) POLBCTDSP1CYP2C19SMN1; SMN2APAF1
SCHEMBL29009986 0.85 CYP2C19 (0.49) POLBCYP2C19PTGS1PTGS2SMN1; SMN2
SCHEMBL5156721 0.85 POLB (0.50) POLBCTDSP1PTGS1PTGS2GAA
SCHEMBL13658246 0.85 POLB (0.50) POLBCTDSP1CYP2C19SMN1; SMN2APAF1
SCHEMBL12494906 0.84 GRM2 (0.45) CYP2C19PTGS1PTGS2SMN1; SMN2LMNA
SCHEMBL28337544 0.83 CYP2C19 (0.47) POLBCYP2C19PTGS1HTTSMN1; SMN2
SCHEMBL8679380 0.82 PTGS1 (0.63) CYP2C19PTGS1PTGS2HTTSMN1; SMN2
SCHEMBL13684889 0.82 KMT2A (0.55) POLBCTDSP1PTGS1PTGS2LMNA
SCHEMBL19228532 0.82 CYP2C19 (0.53) POLBCYP2C19SMN1; SMN2CYP2D6SRC

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255208-B1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2024-12-25 EP claimed
EP-4428219-A2 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2024-09-11 EP claimed
EP-3618798-B1 COMPOSITION FOR ODOUR IMPROVEMENT SYMRISE AG (DE) 2024-08-21 EP claimed
EP-3618798-A1 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2020-03-11 EP claimed
WO-2018202311-A1 COMPOSITION FOR ODOUR IMPROVEMENT SYMRISE AG (DE) 2018-11-08 WO claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-0235942-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-03-23 EP claimed
EP-4428219-A3 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2025-06-18 EP disclosed
EP-4428219-A2 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2024-09-11 EP disclosed
EP-4428219-A2 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2024-09-11 EP disclosed
EP-3618798-B1 COMPOSITION FOR ODOUR IMPROVEMENT SYMRISE AG (DE) 2024-08-21 EP disclosed
CN-107847958-B Switchable digital scent generation and release and vapor and liquid delivery methods and systems 加利福尼亚大学董事会 2024-01-16 CN disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
WO-1997034860-A1 A PROCESS FOR THE PREPARATION OF α-ARYLPROPIONIC ACIDS AND THE INTERMEDIATES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1997-09-25 WO disclosed
US-5310902-A Glutamate blockers NIPPON CHEMIPHAR CO., LTD. (JP) 1994-05-10 US disclosed
EP-0235942-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-03-23 EP disclosed
US-5070196-A GLUTAMATE BLOCKERS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 US disclosed