SCHEMBL1978709

SCHEMBL1978709

CC(C)CC(=O)Oc1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 3/20 0.39
ESR1 P03372 2/20 0.39
HIF1A Q16665 2/20 0.39
MIF P14174 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
PTPN1 P18031 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL666155 0.81 POLB (0.47) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL6177060 0.79 GAA (0.53) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL1532609 0.79 LMNA (0.53) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL128042 0.79 KMT2A (0.58) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL23318140 0.78 ALDH1A1 (0.47) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL10518649 0.78 KMT2A (0.47) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL16443965 0.78 ALDH1A1 (0.47) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL3512372 0.78 GAA (0.50) ALOX15ALDH1A1KMT2AMAPTLMNA
SCHEMBL17138144 0.76 ALDH1A1 (0.51) ALOX15ALDH1A1KMT2ALMNAELANE
SCHEMBL130836 0.76 BCL9 (0.56) ALOX15ALDH1A1KMT2AMAPTLMNA

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-2509978-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E.I. Du Pont De Nemours And Company (US) 2012-10-17 EP disclosed
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed