SCHEMBL2902073

SCHEMBL2902073

CCC1(CC(C)C)C(O)CCCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
ACE P12821 4/20 0.30
REN P00797 2/20 0.30
KDM4E B2RXH2 1/20 0.30
F2 P00734 1/20 0.30
LMNA P02545 1/20 0.30
LTA4H P09960 1/20 0.30
MAPT P10636 1/20 0.30
PEPD P12955 1/20 0.30
ALOX15 P16050 1/20 0.30
PTGS1 P23219 1/20 0.30
HTR2A P28223 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ACE2 Q9BYF1 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
SCHEMBL2045005 0.79 BCHE (0.34) MAPT
SCHEMBL1419990 0.71
SCHEMBL3378191 0.67
SCHEMBL28353969 0.65 SMN1; SMN2 (0.32)
SCHEMBL8763574 0.64
SCHEMBL12821502 0.63 DPP4 (0.31)
SCHEMBL2902074 0.63
SCHEMBL21219561 0.63 MAPK1 (0.36) LMNA
SCHEMBL587380 0.62
SCHEMBL20186274 0.62 DPP4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289275-B1 INSECT REPELLENT COMPOSITION UNIV WIEN BODENKULTUR (AT) 2026-05-27 EP claimed
EP-1463482-B1 PHOTOSTABLE SUNSCREEN COMPOSITIONS AND METHODS OF STABILIZING DIBENZOYLMETHANE AVON PROD INC (US) 2010-08-11 EP claimed
US-20060269582-A1 Arthropod repellent comprising extracts and/or parts of the plant vitex agnus-castus ALPHA-BIOCARE GMBH (DE) 2006-11-30 US claimed
EP-1337146-B1 AEROSOL INSECT REPELLENT COMPOSITION HAVING LOW VOC CONTENT AND METHOD OF APPLYING SAME TO THE SKIN AVON PROD INC (US) 2006-02-08 EP claimed
EP-1571911-A1 ARTHROPOD REPELLENT COMPRISING EXTRACTS AND/OR PARTS OF THE PLANT VITEX AGNUS-CASTUS Alpha-Biocare GmbH (DE) 2005-09-14 EP claimed
EP-1250043-B1 EXTENDED DURATION INSECT REPELLENT COMPOSITION AND METHOD OF APPLICATION TO THE SKIN AVON PROD INC (US) 2004-09-08 EP claimed
WO-2004045291-A1 ARTHROPOD REPELLENT COMPRISING EXTRACTS AND/OR PARTS OF THE PLANT VITEX AGNUS-CASTUS ALPHA-BIOCARE GMBH (DE) 2004-06-03 WO claimed
EP-2705832-B1 Polyglycerol esters with special oligomer distribution of polyglycerol EVONIK DEGUSSA GMBH (DE) 2019-07-03 EP disclosed
EP-2705832-A2 Polyglycerol esters with special oligomer distribution of polyglycerol Evonik Industries AG (DE) 2014-03-12 EP disclosed
EP-1571911-B1 ARTHROPOD REPELLENT COMPRISING EXTRACTS AND/OR PARTS OF THE PLANT VITEX AGNUS-CASTUS ALPHA BIOCARE GMBH (DE) 2012-06-13 EP disclosed
US-20060269582-A1 Arthropod repellent comprising extracts and/or parts of the plant vitex agnus-castus ALPHA-BIOCARE GMBH (DE) 2006-11-30 US disclosed
EP-1571911-A1 ARTHROPOD REPELLENT COMPRISING EXTRACTS AND/OR PARTS OF THE PLANT VITEX AGNUS-CASTUS Alpha-Biocare GmbH (DE) 2005-09-14 EP disclosed
WO-2004045291-A1 ARTHROPOD REPELLENT COMPRISING EXTRACTS AND/OR PARTS OF THE PLANT VITEX AGNUS-CASTUS ALPHA-BIOCARE GMBH (DE) 2004-06-03 WO disclosed