SCHEMBL5616111

SCHEMBL5616111

CCCCCCCCCCCCn1ccnc1C(c1cc(OC)c(OC)c(OC)c1)C(CC)OCCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.37
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 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
SCHEMBL4900554 0.78 MAPT (0.49) TLR8ALDH1A1KMT2AMAPTCA1
SCHEMBL4908743 0.73 MAPT (0.51) TLR8ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL5600123 0.72 MAPT (0.34) TLR8ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL9378249 0.71 TLR8 (0.37) TLR8THRATHRBALDH1A1KMT2A
SCHEMBL4911325 0.71 TLR8 (0.37) TLR8THRATHRBALDH1A1KMT2A
SCHEMBL4907880 0.70 FYN (0.37) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL4911594 0.67 LMNA (0.37) TLR8KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL4906658 0.65 MAPT (0.38) ALDH1A1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL4902316 0.64 TLR8 (0.33) TLR8ALDH1A1KMT2AMAPTPOLB
SCHEMBL5299480 0.64 TLR8 (0.48) TLR8ALDH1A1KMT2APOLBHTR2A

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-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed