SCHEMBL9876253

SCHEMBL9876253

C=CC(O)C1CC(c2ccccc2)CC(Oc2ccc(Cl)cc2)O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
GRIN2B Q13224 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC18A3 Q16572 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL9876644 0.81 GRIN2B (0.35) EPHX2SLC6A4SLC6A2SLC6A3GRIN2B
SCHEMBL9876363 0.75 SLC6A4 (0.39) EPHX2SLC6A4SLC6A2SLC6A3GRIN2B
SCHEMBL10697433 0.74 IDO1 (0.36) EPHX2SLC6A4SLC6A2SLC6A3GRIN2B
SCHEMBL10697410 0.72 SLC6A4 (0.40) EPHX2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL9876395 0.71 SLC6A4 (0.39) EPHX2SLC6A4SLC6A2SLC6A3FFAR4
SCHEMBL9876114 0.61 SLC6A4 (0.38) EPHX2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL9876112 0.61 SLC6A4 (0.38) EPHX2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL3441836 0.58 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL19950989 0.56 MEN1 (0.59) GRIN2BMEN1KMT2ASLC18A3SIGMAR1
SCHEMBL14232386 0.55 SLC18A3 (0.52) SLC18A3SIGMAR1

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-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed