SCHEMBL8103100

SCHEMBL8103100

C[C@@H]1c2ccccc2[C@H](O)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AADAT Q8N5Z0 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
GPR3 P46089 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
SCHEMBL8531691 1.00 MAOA (0.34) MAOAMAOBAADATMEN1KMT2A
SCHEMBL17928994 1.00 MAOA (0.34) MAOAMAOBAADATMEN1KMT2A
SCHEMBL17928996 1.00 MAOA (0.34) MAOAMAOBAADATMEN1KMT2A
SCHEMBL8531689 1.00 MAOA (0.34) MAOAMAOBAADATMEN1KMT2A
SCHEMBL8050352 1.00 MAOA (0.34) MAOAMAOBAADATMEN1KMT2A
SCHEMBL18080870 0.84 MAOA (0.37) MAOAMAOBAADATMEN1KMT2A
SCHEMBL9113014 0.81 MAOA (0.39) MAOAMAOBMEN1KMT2AGAA
SCHEMBL15630882 0.70 MEN1 (0.36) MAOAMAOBAADATMEN1KMT2A
SCHEMBL8692639 0.70 MAOA (0.39) MAOAMAOBMEN1KMT2AGAA
SCHEMBL7293415 0.70 MEN1 (0.36) MAOAMAOBAADATMEN1KMT2A

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
US-6165777-A Process for the resolution of cis 1,2-indane diols using Pseudomonas putida ZENECA LIMITED (GB) 2000-12-26 US disclosed