SCHEMBL8416732

SCHEMBL8416732

[Li]CCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.58
HTR2A P28223 6/20 0.58
SIGMAR1 Q99720 4/20 0.53
CYP19A1 P11511 4/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KCNH2 Q12809 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL1595514 0.98 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL9073997 0.87 HRH1 (0.71) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL7766694 0.82 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1KCNH2
SCHEMBL11430173 0.78 HTR2A (0.39) HRH1HTR2ATAAR1
SCHEMBL2091869 0.76 HRH1 (0.58) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL5070184 0.76 HRH1 (0.58) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL8120558 0.76 SIGMAR1 (0.59) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL5410942 0.76 HRH1 (0.58) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL7494993 0.76 HRH1 (0.64) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL81907 0.76 SIGMAR1 (0.64) HRH1HTR2ASIGMAR1CYP19A1KCNH2

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-0941256-A1 METHOD FOR PREPARING POLYACRYL(METH)ACRYLATES BASF AKTIENGESELLSCHAFT (DE) 1999-09-15 EP disclosed
WO-1998023651-A1 METHOD FOR PREPARING POLYACRYL(METH)ACRYLATES BASF AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed