SCHEMBL4186801

SCHEMBL4186801

CCCCOB(OCCC)OCCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TSHR P16473 5/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8727179 0.94 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL245354 0.94 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL20224725 0.94 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL50476 0.94 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRCYP3A4
Ammonia Solution, Strong SCHEMBL28517868 0.91 ADRB2 (0.43) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL28919521 0.91 ADRB2 (0.43) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL7868937 0.91 ADRB2 (0.43) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL8727171 0.91 ADRB2 (0.43) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11586592 0.91 ADRB2 (0.43) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL18304 0.87 CA1 (0.30) CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069271-A1 WOOD TREATMENT STANIMIROFF IVAN LAURENCE 2009-03-12 US disclosed
EP-1945424-A1 WOOD TREATMENT Stanimiroff, Ivan Laurence (NZ) 2008-07-23 EP disclosed
WO-2007055601-A1 WOOD TREATMENT STANIMIROFF IVAN LAURENCE (NZ) 2007-05-18 WO disclosed