SCHEMBL10697433

SCHEMBL10697433

C=C(O)CC1CC(c2ccccc2)CC(Oc2ccc(Cl)cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
EPHX2 P34913 1/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
KDM1A O60341 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.32
GRIN2B Q13224 1/20 0.31
GRM2 Q14416 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL10697410 0.84 SLC6A4 (0.40) IDO1EPHX2SLC6A4SLC6A2SLC6A3
SCHEMBL9876363 0.77 SLC6A4 (0.39) IDO1EPHX2SLC6A4SLC6A2SLC6A3
SCHEMBL9876253 0.74 EPHX2 (0.33) EPHX2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL9876395 0.72 SLC6A4 (0.39) EPHX2SLC6A4SLC6A2SLC6A3FFAR4
SCHEMBL9876644 0.68 GRIN2B (0.35) EPHX2SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL9876114 0.63 SLC6A4 (0.38) EPHX2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL9876112 0.63 SLC6A4 (0.38) EPHX2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL3441836 0.59 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL17731049 0.59 IDO1 (0.78) IDO1EPHX2MEN1KMT2APOLB
SCHEMBL19950989 0.57 MEN1 (0.59) IDO1MEN1KMT2APOLBGRIN2B

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-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed