SCHEMBL8350941

SCHEMBL8350941

COc1cc(Cc2ccc(Cc3ccc(O)c(O)c3)cc2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.70
ALOX15 P16050 2/20 0.68
ALOX12 P18054 2/20 0.68
CA2 P00918 2/20 0.63
CA1 P00915 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
AKR1B1 P15121 1/20 0.62
TAAR1 Q96RJ0 2/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 1/20 0.61
ADRB2 P07550 1/20 0.60
TUBB4A P04350 1/20 0.60
TUBB P07437 1/20 0.60
TUBA3C P0DPH7 1/20 0.60
TUBA1B P68363 1/20 0.60
TUBA4A P68366 1/20 0.60
TUBB4B P68371 1/20 0.60
TUBB3 Q13509 1/20 0.60
TUBB2A Q13885 1/20 0.60

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
SCHEMBL14243460 0.98 CALM1 (0.72) CALM1ALOX15ALOX12CA2CA1
SCHEMBL68178 0.92 CALM1 (0.79) CALM1ALOX15ALOX12CA2TAAR1
SCHEMBL21357334 0.89 CALM1 (0.70) CALM1ALOX15ALOX12CA2TAAR1
SCHEMBL15042812 0.89 TUBB4A (0.75) CALM1ALOX15ALOX12CA2TAAR1
SCHEMBL29442255 0.89 TUBB4A (0.75) CALM1ALOX15ALOX12CA2TAAR1
SCHEMBL28795975 0.87 CALM1 (0.68) CALM1CA2TAAR1TSHRMAPK1
SCHEMBL27758491 0.86 CALM1 (0.66) CALM1CA2TAAR1TSHRMAPK1
SCHEMBL10683411 0.84 ALOX15 (0.70) CALM1ALOX15ALOX12AKR1B1TAAR1
SCHEMBL27779669 0.83 CALM1 (0.62) CALM1CA2TAAR1TSHRMAPK1
Dopamine SCHEMBL27902229 0.82 TAAR1 (0.90) ALOX15ALOX12AKR1B1TAAR1TSHR

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
WO-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO disclosed