SCHEMBL28080404

SCHEMBL28080404

CCCCCC=CCC=CCC=CCC=CCCCC(=O)Oc1cc(C)ccc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
FAAH O00519 3/20 0.49
HPGD P15428 2/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 1/20 0.49
PPARG P37231 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48
CYP19A1 P11511 1/20 0.48
FABP4 P15090 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
NR4A2 P43354 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL8006081 0.97 POLM (0.49) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL28980175 0.88 ALOX15 (0.52) ALDH1A1MEN1LMNAALOX15KMT2A
SCHEMBL15456833 0.86 ALOX15 (0.51) ALDH1A1MEN1LMNAALOX15KMT2A
SCHEMBL28080449 0.86 ALOX15 (0.51) ALDH1A1MEN1LMNAALOX15KMT2A
SCHEMBL17073977 0.86 ALOX15 (0.51) ALDH1A1MEN1LMNAALOX15KMT2A
SCHEMBL249973 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL23707017 0.82 LMNA (0.53) ALDH1A1KDM4ELMNATDP1L3MBTL1
SCHEMBL30464896 0.82 LMNA (0.53) ALDH1A1KDM4ELMNATDP1L3MBTL1
Arachidonic Acid SCHEMBL28080405 0.81 PPARG (0.58) ALDH1A1MAPTHPGDPPARGKDM4E
SCHEMBL11491826 0.81 MGLL (0.55) ALDH1A1MAPTFAAHHPGDCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105707469-A Thymol ester, feed additive and feed 湖南晶天科技实业有限公司 2016-06-29 CN disclosed