SCHEMBL27568520

SCHEMBL27568520

NC/C=C\CCCCCC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ EPHX2 P34913 4/20 0.45
▸ FAAH O00519 3/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ TOP1 P11387 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL24678433 0.90 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1EPHX2FAAH
SCHEMBL28192004 0.86 EPHX2 (0.60) EPHX2FAAHALOX15HSD17B10CNR1
SCHEMBL28906277 0.86 EPHX2 (0.60) EPHX2FAAHALOX15HSD17B10CNR1
SCHEMBL4623962 0.86 EPHX2 (0.60) EPHX2FAAHALOX15HSD17B10CNR1
SCHEMBL15537993 0.86 EPHX2 (0.60) EPHX2FAAHALOX15HSD17B10CNR1
SCHEMBL29035432 0.86 EPHX2 (0.60) EPHX2FAAHALOX15HSD17B10CNR1
SCHEMBL4623958 0.86 EPHX2 (0.60) EPHX2FAAHALOX15HSD17B10CNR1
SCHEMBL27674153 0.86 EPHX2 (0.60) EPHX2FAAHALOX15HSD17B10CNR1
SCHEMBL27280748 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2FAAH
SCHEMBL7500149 0.84 EPHX2 (0.62) ALDH1A1EPHX2FAAHCYP3A4ALOX15

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-1324348-A TAN-1057 derivatives BAYER AG (DE) 2001-11-28 — — CN disclosed
Send feedback