SCHEMBL9876114

SCHEMBL9876114

Clc1ccc(OC2CC(c3ccccc3)C=CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
EPHX2 P34913 1/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CNR1 P21554 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9876112 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3EPHX2KDM1A
SCHEMBL4512850 0.75 ALDH1A1 (0.33) SLC6A2SLC6A3KDM1AMAOAMAOB
SCHEMBL9361111 0.72 TSHR (0.32) KDM1A
SCHEMBL11371142 0.72 KDM4E (0.34) TDP1KMT2A
SCHEMBL6854408 0.70 ALDH1A1 (0.38) TDP1MEN1KMT2A
SCHEMBL9876363 0.65 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3EPHX2KDM1A
SCHEMBL10697410 0.65 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3EPHX2KDM1A
SCHEMBL3441836 0.65 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL11599949 0.63 HTR2C (0.33) SLC6A2SLC6A3KDM1AMAOAMAOB
SCHEMBL10964843 0.60 SLC6A3 (0.48) SLC6A4SLC6A2SLC6A3EPHX2KDM1A

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