SCHEMBL631518

SCHEMBL631518

C#CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.41
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP2C9 P11712 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 2/20 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
SCHEMBL813355 0.74 CA1 (0.43) EPHX2HSD17B10L3MBTL1CA1CA2
SCHEMBL6154544 0.74 EPHX2 (0.41) EPHX2HSD17B10L3MBTL1CYP2C9CA1
SCHEMBL11148891 0.67 EPHX2 (0.50) EPHX2HSD17B10L3MBTL1CYP2C9CA1
SCHEMBL1072726 0.67 EPHX2 (0.50) EPHX2HSD17B10L3MBTL1CYP2C9CA1
Hydrochloric Acid SCHEMBL11156725 0.65 EPHX2 (0.48) EPHX2HSD17B10L3MBTL1CYP2C9CA1
SCHEMBL2297553 0.63 EPHX2 (0.46) EPHX2HSD17B10L3MBTL1CYP2C9CA1
SCHEMBL1502375 0.63 CA1 (0.48) EPHX2HSD17B10L3MBTL1CYP2C9CA1
SCHEMBL2604739 0.63 EPHX2 (0.46) EPHX2HSD17B10L3MBTL1CYP2C9CA1
SCHEMBL12408108 0.63 EPHX2 (0.46) EPHX2HSD17B10L3MBTL1CYP2C9CA1
SCHEMBL7672245 0.63 EPHX2 (0.52) EPHX2HSD17B10L3MBTL1CYP2C9CA1

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed