SCHEMBL3879795

SCHEMBL3879795

CC(C)=CCCC(C)CC(=O)C(=O)CC(C)CCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GGPS1 O95749 2/20 0.46
FDPS P14324 2/20 0.46
USP2 O75604 1/20 0.43
PTPN1 P18031 2/20 0.42
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 1/20 0.37

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
SCHEMBL991834 0.89 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL6050718 0.89 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL19681520 0.85 ALOX15 (0.63) ALOX15ALDH1A1USP2PTPN1BLM
SCHEMBL10616732 0.85 ALOX15 (0.63) ALOX15ALDH1A1USP2PTPN1BLM
SCHEMBL5505780 0.85 ALOX15 (0.63) ALOX15ALDH1A1USP2PTPN1BLM
SCHEMBL26109378 0.83 BLM (0.56) ALOX15ALDH1A1PTPN1BLMLMNA
SCHEMBL4810550 0.82 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL12068066 0.81 ALOX15 (0.46) ALOX15ALDH1A1GGPS1FDPSUSP2
Citronellal SCHEMBL3879793 0.79 ALOX15 (0.47) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL4608511 0.77 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 WO disclosed